suramin [Ligand Id: 1728] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL265502 (Farma, FARMA-939, Fourneau, Metaret, Naganol, NSC-34936, Suramin, Suramine) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ATP-dependent 6-phosphofructokinase in Trypanosoma brucei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5686] [UniProtKB: O15648] | ||||||||
| ChEMBL | Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | ACS Med Chem Lett (2014) 5: 12-17 [PMID:24900769] |
| Bis(5`-adenosyl)-triphosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795151] [UniProtKB: P49789] | ||||||||
| ChEMBL | Inhibition of recombinant human FHIT incubated for 1hr in presence of tokyogreen-labeled CMP probe by fluorescence based analysis | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2021) 64: 9567-9576 [PMID:34160227] |
| cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858] | ||||||||
| ChEMBL | Inhibition of human liver cathepsin B | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2008) 51: 545-552 [PMID:18173229] |
| Chaperonin GroEL in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296299] [UniProtKB: P0A6F5] | ||||||||
| ChEMBL | Binding affinity to Escherichia coli GroEL expressed in Escherichia coliDH5alpha by ITC assay | B | 5.01 | pKd | 9800 | nM | Kd | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| Chromobox protein homolog 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1764946] [UniProtKB: O95931] | ||||||||
| ChEMBL | Inhibition of Cbx7 (unknown origin) using FITC-labeled SETDB1-K1170me3 peptide as probe by fluorescence polarization assay | B | 5.09 | pIC50 | 8100 | nM | IC50 | Eur J Med Chem (2017) 136: 14-35 [PMID:28478342] |
| protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527] | ||||||||
| ChEMBL | Inhibitory activity against DNA-DNA dependent protein kinase (DNA-PK) | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2003) 46: 1478-1483 [PMID:12672248] |
| ectonucleoside triphosphate diphosphohydrolase 1/Ectonucleoside triphosphate diphosphohydrolase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5722] [GtoPdb: 2888] [UniProtKB: P49961] | ||||||||
| ChEMBL | Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay | B | 4.79 | pIC50 | 16100 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of human CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay | B | 4.8 | pIC50 | 16000 | nM | IC50 | J Med Chem (2020) 63: 13444-13465 [PMID:32786396] |
| ectonucleoside triphosphate diphosphohydrolase 1/Ectonucleoside triphosphate diphosphohydrolase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739681] [GtoPdb: 2888] [UniProtKB: P55772] | ||||||||
| ChEMBL | Inhibition of mouse CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2020) 63: 13444-13465 [PMID:32786396] |
| ectonucleoside triphosphate diphosphohydrolase 2/Ectonucleoside triphosphate diphosphohydrolase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5049] [GtoPdb: 2889] [UniProtKB: Q9Y5L3] | ||||||||
| ChEMBL | Inhibition of human NTPDase2 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay | B | 4.62 | pIC50 | 24100 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of human NTPDase2 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay | B | 4.62 | pIC50 | 24000 | nM | IC50 | J Med Chem (2020) 63: 13444-13465 [PMID:32786396] |
| ectonucleoside triphosphate diphosphohydrolase 2/Ectonucleoside triphosphate diphosphohydrolase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3300] [GtoPdb: 2889] [UniProtKB: O35795] | ||||||||
| ChEMBL | Inhibition of rat recombinant NTPDase2 expressed in CHO cells | B | 4.18 | pKi | 65400 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5943-5947 [PMID:16997558] |
| ChEMBL | Inhibition of rat NTPDase 2 | B | 4.18 | pKi | 65400 | nM | Ki | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
| Ectonucleoside triphosphate diphosphohydrolase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5897] [UniProtKB: O75355] | ||||||||
| ChEMBL | Inhibition of human NTPDase3 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay | B | 5.37 | pIC50 | 4310 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of human NTPDase3 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay | B | 5.37 | pIC50 | 4300 | nM | IC50 | J Med Chem (2020) 63: 13444-13465 [PMID:32786396] |
| Ectonucleoside triphosphate diphosphohydrolase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5338] [UniProtKB: Q5MY95] | ||||||||
| ChEMBL | Inhibition of human NTPDase 8 expressed in COS7 cells | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
| ChEMBL | Inhibition of human NTPDase8 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of human NTPDase8 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2020) 63: 13444-13465 [PMID:32786396] |
| ectonucleotide pyrophosphatase/phosphodiesterase 1/Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5925] [GtoPdb: 3312] [UniProtKB: P22413] | ||||||||
| ChEMBL | Uncompetitive-inhibition of recombinant human N-terminal His-tagged soluble NPP1 (Val191 to Leu591 residues) expressed in mouse NSO cells using p-Nph-5'-TMP as substrate after 15 mins by capillary electrophoresis method | B | 5.97 | pKi | 1070 | nM | Ki | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| ChEMBL | Uncompetitive-inhibition of recombinant human N-terminal His-tagged soluble NPP1 (Val191 to Leu591 residues) expressed in mouse NSO cells using p-Nph-5'-AMP as substrate after 30 mins by capillary electrophoresis method | B | 5.99 | pKi | 1030 | nM | Ki | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| ChEMBL | Uncompetitive-inhibition of recombinant human N-terminal His-tagged soluble NPP1 (Val191 to Leu591 residues) expressed in mouse NSO cells using ATP as substrate by capillary electrophoresis method | B | 6.11 | pKi | 780 | nM | Ki | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| ChEMBL | Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analysis | B | 6.59 | pKi | 260 | nM | Ki | Bioorg Med Chem (2016) 24: 3157-3165 [PMID:27265686] |
| ChEMBL | Inhibition of recombinant human NPP1 expressed in COS7 cell membranes using ATP as substrate after 20 mins by UV-capillary electrophoresis method | B | 6.59 | pKi | 260 | nM | Ki | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| ChEMBL | Binding affinity to ENPP1 (unknown origin) assessed as inhibition constant | B | 6.59 | pKi | 260 | nM | Ki | Eur J Med Chem (2024) 268: 116286-116286 [PMID:38432057] |
| ChEMBL | Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins | B | 5.06 | pIC50 | 8670 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of recombinant human membrane bound NPP1 using p-Nph-5'-TMP as substrate | B | 5.06 | pIC50 | 8670 | nM | IC50 | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| ChEMBL | Inhibition of human NPP1 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 35 mins | B | 5.06 | pIC50 | 8670 | nM | IC50 | Eur J Med Chem (2018) 156: 461-478 [PMID:30015078] |
| ChEMBL | Inhibition of NPP1 (unknown origin) using pNP-TMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by colorimetric method | B | 5.06 | pIC50 | 8670 | nM | IC50 | Eur J Med Chem (2019) 181: 111560-111560 [PMID:31382118] |
| ChEMBL | Inhibition of human NPP1 expressed in African green monkey COS7 cell membranes pre-incubated for 10 mins before pNP-TMP substrate addition and further incubated for 15 mins by colorimetric method | B | 5.06 | pIC50 | 8670 | nM | IC50 | Bioorg Med Chem (2019) 27: 2741-2752 [PMID:31088715] |
| ChEMBL | Inhibition of human recombinant NPP1 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 35 mins by spectrophotometric analysis | B | 5.11 | pIC50 | 7770 | nM | IC50 | Eur J Med Chem (2020) 208: 112759-112759 [PMID:32883636] |
| ChEMBL | Inhibition of human NPP1 transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins | B | 5.11 | pIC50 | 7770 | nM | IC50 | Eur J Med Chem (2021) 217: 113339-113339 [PMID:33744686] |
| ChEMBL | Inhibition of human NPP1 expressed in COS-7 cells using pNP-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate reader analysis | B | 5.11 | pIC50 | 7770 | nM | IC50 | Eur J Med Chem (2023) 246: 114958-114958 [PMID:36470105] |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295913] [UniProtKB: Q924C3] | ||||||||
| ChEMBL | Inhibition of NPP1 in Wistar rat C6 cells using [gamma-32P]ATP as substrate pretreated for 30 mins followed by substrate addition and measured after 90 mins by TLC analysis | B | 4.14 | pIC50 | 72000 | nM | IC50 | Medchemcomm (2017) 8: 823-840 [PMID:30108800] |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5580] [UniProtKB: O14638] | ||||||||
| ChEMBL | Inhibition of recombinant human NPP3 expressed in CHO cells using ATP as substrate measured after 20 mins by mini-capillary electrophoresis | B | 7.4 | pKi | 40 | nM | Ki | RSC Med Chem (2021) 12: 1187-1206 [PMID:34355184] |
| ChEMBL | Inhibition of human NPP3 expressed in African green monkey COS7 cell membranes pre-incubated for 10 mins before pNP-TMP substrate addition and further incubated for 15 mins by colorimetric method | B | 5.9 | pIC50 | 1270 | nM | IC50 | Bioorg Med Chem (2019) 27: 2741-2752 [PMID:31088715] |
| ChEMBL | Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 35 mins | B | 5.9 | pIC50 | 1270 | nM | IC50 | Eur J Med Chem (2018) 156: 461-478 [PMID:30015078] |
| ChEMBL | Inhibition of human recombinant N-terminal His6 tagged NPP3 expressed in baculovirus infected Sf9 cell membranes using pNP-TMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by colorimetric method | B | 5.9 | pIC50 | 1270 | nM | IC50 | Eur J Med Chem (2019) 181: 111560-111560 [PMID:31382118] |
| ChEMBL | Inhibition of human full length NPP3 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins | B | 5.9 | pIC50 | 1270 | nM | IC50 | Eur J Med Chem (2017) 138: 816-829 [PMID:28735213] |
| ChEMBL | Inhibition of human NPP3 expressed in COS-7 cells using pNP-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate reader analysis | B | 6.05 | pIC50 | 900 | nM | IC50 | Eur J Med Chem (2023) 246: 114958-114958 [PMID:36470105] |
| ChEMBL | Inhibition of human recombinant NPP3 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 35 mins by spectrophotometric analysis | B | 6.05 | pIC50 | 890 | nM | IC50 | Eur J Med Chem (2020) 208: 112759-112759 [PMID:32883636] |
| ChEMBL | Inhibition of human NPP3 transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins | B | 6.05 | pIC50 | 890 | nM | IC50 | Eur J Med Chem (2021) 217: 113339-113339 [PMID:33744686] |
| Genome polyprotein in dengue virus type 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5980] [UniProtKB: P29990] | ||||||||
| ChEMBL | Non-competitive inhibition of Dengue virus 4 NS3 helicase | B | 6.12 | pKi | 750 | nM | Ki | J Med Chem (2016) 59: 5622-5649 [PMID:26771861] |
| ChEMBL | Non-competitive inhibition of Dengue virus 3 NS3 helicase | B | 6.12 | pKi | 750 | nM | Ki | J Med Chem (2016) 59: 5622-5649 [PMID:26771861] |
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 4.8 | pIC50 | 16000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 5.09 | pIC50 | 8100 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 20 to 40 mins by fluorescence based assay | B | 5.1 | pIC50 | 7900 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5247-5253 [PMID:27720295] |
| heparanase/Heparanase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3921] [GtoPdb: 2996] [UniProtKB: Q9Y251] | ||||||||
| ChEMBL | Inhibition of HPSE (unknown origin) | B | 4.32 | pIC50 | 48000 | nM | IC50 | Eur J Med Chem (2020) 193: 112221-112221 [PMID:32222663] |
| ChEMBL | Inhibition of heparanase (unknown origin) | B | 4.32 | pIC50 | 48000 | nM | IC50 | Eur J Med Chem (2016) 121: 209-220 [PMID:27240275] |
| ChEMBL | Inhibition of HPSE (unknown origin) assessed as decrease in radioactivity using [35S] heparan sulfate as substrate by HPLC analysis | B | 4.38 | pIC50 | 42000 | nM | IC50 | Eur J Med Chem (2020) 193: 112221-112221 [PMID:32222663] |
| ChEMBL | Inhibition of heparanase (unknown origin) assessed as reduction in AGA*IA cleavage after 3 hrs by WST1 dye based colorimetric assay | B | 4.58 | pIC50 | 26600 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4421-4425 [PMID:28811133] |
| Heparanase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295872] [UniProtKB: Q6YGZ1] | ||||||||
| ChEMBL | Inhibition of mouse B16-BL6 cells derived heparanase using [3H]HS as substrate after 6 hrs by size exclusion chromatography based liquid scintillation counting method | B | 4.32 | pKi | 48000 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 4421-4425 [PMID:28811133] |
| nuclear receptor binding SET domain protein 1/Histone-lysine N-methyltransferase, H3 lysine-36 specific in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3588738] [GtoPdb: 2696] [UniProtKB: Q96L73] | ||||||||
| ChEMBL | Inhibition of human NSD1 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.8 | pIC50 | 16000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| nuclear receptor binding SET domain protein 2/Histone-lysine N-methyltransferase NSD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108645] [GtoPdb: 3220] [UniProtKB: O96028] | ||||||||
| ChEMBL | Inhibition of human NSD2 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.68 | pIC50 | 21000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| Histone-lysine N-methyltransferase NSD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108646] [UniProtKB: Q9BZ95] | ||||||||
| ChEMBL | Inhibition of human NSD3 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.92 | pIC50 | 12000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
| ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 5.14 | pIC50 | 7200 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547] | ||||||||
| ChEMBL | Inhibition of purified HIV-2 reverse transcriptase | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (1992) 35: 4846-4853 [PMID:1282569] |
| ChEMBL | Inhibition of purified HIV-1 reverse transcriptase | B | 5.03 | pIC50 | 9400 | nM | IC50 | J Med Chem (1992) 35: 4846-4853 [PMID:1282569] |
| Metalloproteinase inhibitor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465289] [UniProtKB: P35625] | ||||||||
| ChEMBL | Binding affinity to FLAG-tagged human TIMP3 expressed in HEK293 cells assessed as dissociation constant | B | 8.72 | pKd | 1.9 | nM | Kd | Bioorg Med Chem (2023) 92: 117424-117424 [PMID:37517101] |
| sirtuin 1/NAD-dependent protein deacetylase sirtuin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
| ChEMBL | Inhibition of human recombinant sirtuin 1 using fluorogenic HDAC substrate measured after 20 mins by fluorimetry assay | B | 5.17 | pIC50 | 6700 | nM | IC50 | ACS Med Chem Lett (2019) 10: 863-868 [PMID:31223439] |
| ChEMBL | Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2768-2772 [PMID:26025875] |
| ChEMBL | Inhibition of human SIRT1 using Fluor-de-Lys as substrate | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3256-3260 [PMID:22464458] |
| ChEMBL | Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by fluorescence assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (2017) 60: 4714-4733 [PMID:28475330] |
| ChEMBL | In Vitro Biological Assay: 50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full length human Sirtuin 1 expressed in E. coli, BioMol. Cat. #SE-239) and 500 uM NAD+ in the assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 supplemented with 1 mg/ml BSA for dilution, BioMol. Cat. #KI-143) and 1% final concentration of DMSO were incubated in the presence of gradient concentrations of test compounds (10-dose with 3-fold serial dilution) at 30 C. for 2 h. The reactions were carried out in a 96-well microplate for fluorometry in a 50 ul reaction volume. After the deacetylation reaction, Fluor-de-Lys-Developer II (BioMol. Cat. #KI-176) was added to each well to digest the deacetylated substrate, thus producing the fluorescent signal. The reaction was allowed to develop for 45 minutes at 30 C. with 5% CO2; then the fluorescent signal was measured with an excitation wavelength at 360 nm. | B | 5.58 | pIC50 | 2620 | nM | IC50 | US-8835659-B2. Polysubstituted benzofurans and medicinal applications thereof (2014) |
| ChEMBL | Inhibition of full length recombinant human SIRT1 expressed in Escherichia coli BL21 (DE3) PLysS using Fluor-de-Lys as substrate by fluorimetric assay | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 6160-6165 [PMID:22929231] |
| ChEMBL | Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem (2009) 17: 7031-7041 [PMID:19734050] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged full length SIRT1 expressed in Escherichia coli BL21(DE3) using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Medchemcomm (2010) 1: 114-124 |
| ChEMBL | Inhibition of human GST-tagged SIRT1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2013) 56: 3666-3679 [PMID:23570514] |
| ChEMBL | Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay | B | 6.52 | pIC50 | 300 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
| ChEMBL | Inhibition of recombinant SIRT1 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase assay | B | 6.53 | pIC50 | 297 | nM | IC50 | J Med Chem (2022) 65: 9580-9606 [PMID:35802779] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 7.46 | pIC50 | 35 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 7.57 | pIC50 | 27 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Activation of SIRT1 (unknown origin) | B | 4.85 | pEC50 | 14000 | nM | EC50 | Bioorg Med Chem Lett (2024) 100: 129620-129620 [PMID:38280655] |
| sirtuin 2/NAD-dependent protein deacetylase sirtuin-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4462] [GtoPdb: 2708] [UniProtKB: Q8IXJ6] | ||||||||
| ChEMBL | Inhibition of SIRT2 (unknown origin) | B | 4.62 | pIC50 | 24000 | nM | IC50 | Bioorg Med Chem Lett (2024) 100: 129620-129620 [PMID:38280655] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT2 (56 to 356 residues) expressed in Escherichia coli using Ac-Ser-Ser-Ile-Lys(De)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 4.63 | pIC50 | 23300 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Inhibition of human recombinant sirtuin 2 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 60 mins by fluorimetry assay | B | 4.77 | pIC50 | 17000 | nM | IC50 | ACS Med Chem Lett (2019) 10: 863-868 [PMID:31223439] |
| ChEMBL | Inhibition of human SIRT2 | B | 4.85 | pIC50 | 14000 | nM | IC50 | Eur J Med Chem (2017) 134: 230-241 [PMID:28415012] |
| ChEMBL | Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by fluorescence assay | B | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2017) 60: 4714-4733 [PMID:28475330] |
| ChEMBL | Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-peptide as substrate incubated for 4 hrs followed by trypsin addition and further incubated for 2 hrs | B | 5.26 | pIC50 | 5444.5 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT2 (56 to 356 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 5.66 | pIC50 | 2200 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Inhibition of human His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2013) 56: 3666-3679 [PMID:23570514] |
| ChEMBL | Inhibition of recombinant SIRT2 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase assay | B | 5.94 | pIC50 | 1150 | nM | IC50 | J Med Chem (2022) 65: 9580-9606 [PMID:35802779] |
| ChEMBL | Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
| sirtuin 5/NAD-dependent protein deacylase sirtuin-5, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163183] [GtoPdb: 2711] [UniProtKB: Q9NXA8] | ||||||||
| ChEMBL | Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay | B | 4.33 | pIC50 | 46600 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
| ChEMBL | Inhibition of SIRT5 (unknown origin) | B | 4.34 | pIC50 | 46000 | nM | IC50 | Eur J Med Chem (2021) 225: 113803-113803 [PMID:34461505] |
| ChEMBL | Inhibition of human SIRT5 using fluorogenic substrate preincubated for 1 hr in presence of NAD followed by substrate addition and measured after 15 to 30 mins by trypsin-coupled fluorescence plate reader analysis | B | 4.55 | pIC50 | 28400 | nM | IC50 | Eur J Med Chem (2022) 241: 114623-114623 [PMID:35932566] |
| ChEMBL | Inhibition of SIRT5 | B | 4.57 | pIC50 | 27000 | nM | IC50 | J Med Chem (2012) 55: 5582-5590 [PMID:22583019] |
| ChEMBL | Inhibition of human SIRT5 by fluorescence based analysis | B | 4.57 | pIC50 | 26830 | nM | IC50 | Eur J Med Chem (2023) 247: 115024-115024 [PMID:36543033] |
| ChEMBL | Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
| ChEMBL | Inhibition of human SIRT5 using H3K9 succinyl peptide substrate | B | 4.6 | pIC50 | 25000 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
| ChEMBL | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ by fluorescence based analysis | B | 4.64 | pIC50 | 23120.65 | nM | IC50 | Bioorg Med Chem (2023) 93: 117455-117455 [PMID:37643500] |
| ChEMBL | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate in presence of NAD+ by fluorescence based analysis | B | 4.64 | pIC50 | 23120.65 | nM | IC50 | Eur J Med Chem (2021) 225: 113803-113803 [PMID:34461505] |
| ChEMBL | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate in presence of NAD+ by fluorescence based analysis | B | 4.64 | pIC50 | 23100 | nM | IC50 | Eur J Med Chem (2021) 225: 113803-113803 [PMID:34461505] |
| ChEMBL | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ by fluorescence based analysis | B | 4.64 | pIC50 | 23100 | nM | IC50 | Bioorg Med Chem (2023) 93: 117455-117455 [PMID:37643500] |
| ChEMBL | Inhibition of NAD+ dependent SIRT5 (unknown origin) using chicken histone as substrate | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2022) 65: 9580-9606 [PMID:35802779] |
| ChEMBL | Inhibition of human recombinant SIRT5 isoform 1 (34 to 302 amino acids) expressed in Escherichia coli BL21 (DE3) codon plus RIL cells assessed as reduction in deacetylase activity using acetylated chicken histone substrate and [3H]-NAD+ | B | 4.66 | pIC50 | 22000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
| ChEMBL | Inhibition of recombinant SIRT5 (34 to 302 residues) (unknown origin) | B | 4.66 | pIC50 | 22000 | nM | IC50 | Eur J Med Chem (2022) 236: 114363-114363 [PMID:35436671] |
| ChEMBL | Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay | B | 4.85 | pIC50 | 14200 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 143-146 [PMID:23195732] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 4.96 | pIC50 | 11000 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by HPLC-based assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
| ChEMBL | Inhibition of human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay | B | 5.56 | pIC50 | 2730 | nM | IC50 | Eur J Med Chem (2020) 192: 112201-112201 [PMID:32163813] |
| ChEMBL | Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by FRET-based assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
| sirtuin 4/NAD-dependent protein lipoamidase sirtuin-4, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163185] [GtoPdb: 2710] [UniProtKB: Q9Y6E7] | ||||||||
| ChEMBL | Inhibition of N-terminal 6His-tagged human Sirt4 (25 to 314 residues) expressed in Escherichia coli CodonPlus(DE3) cells using HMG-FdL as substrate at 100 uM preincubated for 20 mins followed by NAM addition and measured after 45 mins in presence of NAD+ by fluorescence based assay relative to control | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2024) 67: 1843-1860 [PMID:38253001] |
| Nonstructural protein 3 in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9] | ||||||||
| ChEMBL | Inhibition of Zika virus NS2B-NS3 protease by cell based assay | B | 4.55 | pKd | 28000 | nM | Kd | Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339] |
| ChEMBL | Inhibition of Zika virus NS2B-NS3 protease | B | 4.33 | pIC50 | 47000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339] |
| ChEMBL | Binding affinity to Zika virus NS2B-NS3 protease | B | 5.71 | pEC50 | 1930 | nM | EC50 | Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339] |
| Nucleoside triphosphate diphosphohydrolase 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075237] [UniProtKB: A6I415] | ||||||||
| ChEMBL | Inhibition of rat recombinant NTPDase3 expressed in CHO cells | B | 4.9 | pKi | 12700 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5943-5947 [PMID:16997558] |
| P2X1/P2X purinoceptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2094] [GtoPdb: 478] [UniProtKB: P51575] | ||||||||
| ChEMBL | Antagonist activity at human P2X1 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay | B | 5.37 | pIC50 | 4300 | nM | IC50 | Eur J Med Chem (2018) 151: 462-481 [PMID:29649742] |
| ChEMBL | Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins prior to ATP-stimulation by calcium influx assay | B | 5.37 | pIC50 | 4270 | nM | IC50 | J Med Chem (2016) 59: 7410-7430 [PMID:27427902] |
| P2X1/P2X purinoceptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2530] [GtoPdb: 478] [UniProtKB: P47824] | ||||||||
| ChEMBL | Antagonist activity at P2X1 receptor in rat vas deferens assessed as inhibition of alpha/beta-meATP-induced calcium influx | B | 5.33 | pIC50 | 4680 | nM | IC50 | J Med Chem (2016) 59: 7410-7430 [PMID:27427902] |
| GtoPdb | - | - | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
| ChEMBL | Antagonist activity at rat P2X1 receptor | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2020) 63: 6164-6178 [PMID:32345019] |
| ChEMBL | The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) at 1 uM, expressed in Xenopus oocytes | F | 6 | pEC50 | 1000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X2/P2X purinoceptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2531] [GtoPdb: 479] [UniProtKB: Q9UBL9] | ||||||||
| ChEMBL | Antagonist activity against human P2X2R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay | B | 4.85 | pIC50 | 14050 | nM | IC50 | Eur J Med Chem (2022) 238: 114491-114491 [PMID:35660250] |
| ChEMBL | Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay | B | 4.87 | pIC50 | 13450 | nM | IC50 | Eur J Med Chem (2022) 231: 114162-114162 [PMID:35123298] |
| P2X2/P2X purinoceptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2135] [GtoPdb: 479] [UniProtKB: P49653] | ||||||||
| ChEMBL | Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology | F | 4.4 | pIC50 | 39810.72 | nM | IC50 | J Med Chem (2011) 54: 817-830 [PMID:21207957] |
| GtoPdb | - | - | 4.98 | pIC50 | 10400 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
| ChEMBL | Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology | F | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2011) 54: 817-830 [PMID:21207957] |
| ChEMBL | The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 30 uM, expressed in Xenopus oocytes | F | 4.98 | pEC50 | 10400 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X3/P2X purinoceptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2998] [GtoPdb: 480] [UniProtKB: P56373] | ||||||||
| GtoPdb | - | - | 4.83 | pIC50 | 14900 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
| ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 ) | F | 4.83 | pEC50 | 14900 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| ChEMBL | The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X2) at 10 uM, expressed in Xenopus oocytes | F | 5.52 | pEC50 | 3000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X3 in Rat [GtoPdb: 480] [UniProtKB: P49654] | ||||||||
| GtoPdb | - | - | 5.52 | pIC50 | 3000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
| P2X4/P2X purinoceptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2104] [GtoPdb: 481] [UniProtKB: Q99571] | ||||||||
| ChEMBL | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay | B | 5.25 | pIC50 | 5640 | nM | IC50 | Eur J Med Chem (2022) 231: 114162-114162 [PMID:35123298] |
| ChEMBL | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay | B | 5.33 | pIC50 | 4730 | nM | IC50 | Eur J Med Chem (2022) 238: 114491-114491 [PMID:35660250] |
| P2X4/P2X purinoceptor 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2818] [GtoPdb: 481] [UniProtKB: P51577] | ||||||||
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 3 uM, expressed in Xenopus oocytes | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X5/P2X purinoceptor 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4942] [GtoPdb: 482] [UniProtKB: Q93086] | ||||||||
| ChEMBL | Antagonist activity at human P2X5 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay | B | 4.79 | pIC50 | 16070 | nM | IC50 | Eur J Med Chem (2022) 231: 114162-114162 [PMID:35123298] |
| ChEMBL | Antagonist activity against human P2X5R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay | B | 4.8 | pIC50 | 15810 | nM | IC50 | Eur J Med Chem (2022) 238: 114491-114491 [PMID:35660250] |
| P2X5/P2X purinoceptor 5 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2495] [GtoPdb: 482] [UniProtKB: P51578] | ||||||||
| GtoPdb | - | - | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5) | F | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X6/P2X purinoceptor 6 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2122] [GtoPdb: 483] [UniProtKB: P51579] | ||||||||
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 ) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X7/P2X purinoceptor 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4805] [GtoPdb: 484] [UniProtKB: Q99572] | ||||||||
| ChEMBL | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay | B | 4.45 | pIC50 | 35190 | nM | IC50 | Eur J Med Chem (2022) 238: 114491-114491 [PMID:35660250] |
| ChEMBL | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as reduction in BzATP-induced activity incubated for 5 to 10 mins by EtBr staining based fluorescence assay | B | 4.46 | pIC50 | 34820 | nM | IC50 | Eur J Med Chem (2022) 238: 114491-114491 [PMID:35660250] |
| ChEMBL | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay | B | 4.48 | pIC50 | 33210 | nM | IC50 | Eur J Med Chem (2022) 231: 114162-114162 [PMID:35123298] |
| ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) | F | 4.04 | pEC50 | 92000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y purinoceptor 1 in Turkey (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5720] [UniProtKB: P49652] | ||||||||
| ChEMBL | Evaluated for antagonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y11 receptor/P2Y purinoceptor 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4867] [GtoPdb: 327] [UniProtKB: Q96G91] | ||||||||
| ChEMBL | Inhibitory concentration against P2Y purinoceptor 11 expressed in 1321N1 astrocytoma cells; n=6 | B | 6.52 | pKi | 302 | nM | Ki | J Med Chem (2005) 48: 7040-7048 [PMID:16250663] |
| ChEMBL | Inhibitory concentration against P2Y purinoceptor 11 expressed in 1321N1 astrocytoma cells; n=3 | B | 6.95 | pKi | 112.2 | nM | Ki | J Med Chem (2005) 48: 7040-7048 [PMID:16250663] |
| GtoPdb | - | - | 6 | pIC50 | - | - | - | Br J Pharmacol (1999) 128: 1199-206 [PMID:10578132] |
| ChEMBL | The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11) | F | 4.8 | pEC50 | 16000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y12 receptor/P2Y purinoceptor 12 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2188] [GtoPdb: 328] [UniProtKB: Q9EPX4] | ||||||||
| ChEMBL | Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12) | F | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y2 receptor/P2Y purinoceptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4398] [GtoPdb: 324] [UniProtKB: P41231] | ||||||||
| GtoPdb | - | - | 4.3 | pIC50 | - | - | - |
Br J Pharmacol (1997) 121: 338-44 [PMID:9154346]; Br J Pharmacol (1999) 127: 709-16 [PMID:10401562] |
| ChEMBL | Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced intracellular calcium mobilization by FLUOstar plate reader | F | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
| ChEMBL | Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2) | F | 4.32 | pEC50 | 48000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y4 receptor/P2Y purinoceptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2123] [GtoPdb: 325] [UniProtKB: P51582] | ||||||||
| ChEMBL | The compound was evaluated for antagonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 4 (P2Y4) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y6 receptor/P2Y purinoceptor 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4714] [GtoPdb: 326] [UniProtKB: Q15077] | ||||||||
| ChEMBL | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization by NOVOstar plate reader | F | 4.57 | pIC50 | 27000 | nM | IC50 | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
| protein arginine methyltransferase 1 /Protein arginine N-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5524] [GtoPdb: 1252] [UniProtKB: Q99873] | ||||||||
| ChEMBL | Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells | B | 4.74 | pIC50 | 18100 | nM | IC50 | J Med Chem (2007) 50: 1241-1253 [PMID:17323938] |
| ChEMBL | Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scintillation counting | B | 5.27 | pIC50 | 5330 | nM | IC50 | J Med Chem (2010) 53: 6028-6039 [PMID:20666457] |
| Protein argonaute-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680043] [UniProtKB: Q9UKV8] | ||||||||
| ChEMBL | Inhibition of AGO2 (unknown origin) | B | 6.16 | pIC50 | 690 | nM | IC50 | Eur J Med Chem (2020) 188: 112008-112008 [PMID:31931338] |
| Putative silent information regulator 2 in Leishmania infantum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2311240] [UniProtKB: A0A6L0XH39] | ||||||||
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method | B | 5.15 | pIC50 | 7000 | nM | IC50 | J Med Chem (2017) 60: 4780-4804 [PMID:28241112] |
| pyruvate kinase L/R/Pyruvate kinase PKLR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075126] [GtoPdb: 3007] [UniProtKB: P30613] | ||||||||
| ChEMBL | Binding affinity to PKL (unknown origin) | B | 5.96 | pKi | 1100 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| ChEMBL | Inhibition of PKL (unknown origin) | B | 5.66 | pIC50 | 2200 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| pyruvate kinase M1/2/Pyruvate kinase PKM in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075189] [GtoPdb: 3006] [UniProtKB: P14618] | ||||||||
| ChEMBL | Binding affinity to PKM2 (unknown origin) | B | 4.78 | pKi | 16500 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| ChEMBL | Binding affinity to PKM1 (unknown origin) | B | 5 | pKi | 10000 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| ChEMBL | Inhibition of PKM2 (unknown origin) | B | 4.48 | pIC50 | 33000 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| ChEMBL | Inhibition of PKM1 (unknown origin) | B | 4.7 | pIC50 | 20000 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | Inhibition of SARS-CoV-2 RdRp expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based assay | B | 6.59 | pIC50 | 260 | nM | IC50 | Bioorg Med Chem (2023) 80: 117179-117179 [PMID:36716583] |
| ChEMBL | Inhibition of SARS-CoV-2 RdRp expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based assay | B | 6.59 | pIC50 | 260 | nM | IC50 | Eur J Med Chem (2023) 252: 115292-115292 [PMID:36965227] |
| ChEMBL | Inhibition of SARS-CoV-2 main protease by FRET assay | B | 6.59 | pIC50 | 260 | nM | IC50 | Eur J Med Chem (2024) 264: 116000-116000 [PMID:38056300] |
| RmtA in Emericella nidulans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075069] [UniProtKB: Q5VLE3] | ||||||||
| ChEMBL | Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells | B | 5.23 | pIC50 | 5900 | nM | IC50 | J Med Chem (2007) 50: 1241-1253 [PMID:17323938] |
| protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of PTP1B (unknown origin) | B | 5 | pIC50 | >=10000 | nM | IC50 | Bioorg Med Chem (2020) 28: 115263-115263 [PMID:32008883] |
| ChEMBL | Inhibition of PTP1B (1 to 298 residues) (unknown origin) using p-nitrophenylphosphate as substrate after 30 mins | B | 5.54 | pIC50 | 2900 | nM | IC50 | J Nat Prod (2018) 81: 1460-1467 [PMID:29878768] |
| ChEMBL | Inhibition of recombinant human PTP1B using pNPP as substrate assessed as residual activity after 30 mins by spectrometric method | B | 5.85 | pIC50 | 1420 | nM | IC50 | J Nat Prod (2018) 81: 2091-2100 [PMID:30207720] |
| Tyrosyl-DNA phosphodiesterase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075138] [UniProtKB: Q9NUW8] | ||||||||
| ChEMBL | Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli Rosetta2(DE3) using 3'-FITC labeled 13-mer DNA as substrate by Gyrasol assay | B | 5.3 | pIC50 | 5000 | nM | IC50 | Bioorg Med Chem (2016) 24: 5017-5027 [PMID:27687971] |
| ChEMBL | Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysis | B | 5.3 | pIC50 | 5000 | nM | IC50 | Bioorg Med Chem (2016) 24: 5017-5027 [PMID:27687971] |
| Tyrosyl-DNA phosphodiesterase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2169736] [UniProtKB: O95551] | ||||||||
| ChEMBL | Inhibition of human N-terminal His-tagged TDP2 expressed in Escherichia coli JM109(DE3) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate incubated for 60 mins by microplate reader analysis | B | 4.62 | pEC50 | 24000 | nM | EC50 | Bioorg Med Chem (2016) 24: 5017-5027 [PMID:27687971] |
| P2Y1 receptor in Human [GtoPdb: 323] [UniProtKB: P47900] | ||||||||
| GtoPdb | - | - | 5.3 | pKi | - | - | - | Mol Pharmacol (2002) 62: 1249-57 [PMID:12391289] |
| P2Y13 receptor in Human [GtoPdb: 329] [UniProtKB: Q9BPV8] | ||||||||
| GtoPdb | - | - | 5.6 | pIC50 | - | - | - | Mol Pharmacol (2003) 64: 104-12 [PMID:12815166] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
