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ChEMBL ligand: CHEMBL131921 (NSC-123538) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218] | ||||||||
ChEMBL | Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method | B | 4.44 | pIC50 | 36100 | nM | IC50 | J Nat Prod (2015) 78: 2666-2674 [PMID:26529431] |
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5.15 | pKi | 7078.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.43 | pKi | 371.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 7.28 | pKi | 52.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
CBR1/Carbonyl reductase [NADPH] 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152] | ||||||||
ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 5.69 | pKi | 2030 | nM | Ki | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 4.9 | pIC50 | 12710 | nM | IC50 | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
ChEMBL | Apparent Ki against human aromatase | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
ChEMBL | Inhibitory constant against human placental atomatase at pH 7.0 and 37 degree C | B | 4.92 | pKi | 12000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4063-4070 [PMID:15911319] |
ChEMBL | Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counting method | B | 4.92 | pKi | 12000 | nM | Ki | Eur J Med Chem (2019) 177: 116-143 [PMID:31129450] |
ChEMBL | Inhibitory concentration against human placental aromatase | B | 4.47 | pIC50 | 34000 | nM | IC50 | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
ChEMBL | Inhibitory concentration against human placental aromatase by deutirium oxide release | B | 4.47 | pIC50 | 34000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 4063-4070 [PMID:15911319] |
ChEMBL | Inhibitory concentration against human placental aromatase as logIC50 | B | 4.53 | pIC50 | 4.53 | nM | Log IC50 | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
ChEMBL | Inhibition of human placental microsome CYP19 | B | 7.99 | pIC50 | 10.2 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308] |
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
ChEMBL | Inhibition of CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate after 3 mins in presence of NADP+ by fluorescence assay | B | 5.72 | pKi | 1900 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059] | ||||||||
ChEMBL | Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | B | 5 | pIC50 | 9900 | nM | IC50 | J Med Chem (2008) 51: 4188-4199 [PMID:18533708] |
ChEMBL | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method | B | 5 | pIC50 | 9900 | nM | IC50 | J Nat Prod (2017) 80: 965-974 [PMID:28319389] |
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7] | ||||||||
ChEMBL | Inhibition of FabZ | B | 5.1 | pIC50 | 8000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
ChEMBL | Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as a substrate measured after 0.5 hrs by fluorescence based analysis | B | 5.53 | pIC50 | 2950 | nM | IC50 | Eur J Med Chem (2021) 214: 113254-113254 [PMID:33581557] |
ChEMBL | Inhibition of recombinant LSD1 (unknown origin) incubated for 1 hr | B | 5.53 | pIC50 | 2950 | nM | IC50 | Eur J Med Chem (2022) 240: 114564-114564 [PMID:35820351] |
ChEMBL | Inhibition of recombinant KDM1A (unknown origin) using H3K4Me2 peptide as substrate incubated for 0.5 hrs by Amplex red assay | B | 5.53 | pIC50 | 2950 | nM | IC50 | Eur J Med Chem (2022) 231: 114143-114143 [PMID:35101649] |
Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591] | ||||||||
ChEMBL | Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 3455-3457 [PMID:26227773] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.46 | pIC50 | 34300 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL data shown on this page come from version 34:
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]