plumbagin [Ligand Id: 7003] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL295316 (NSC-236613, NSC-688284, Pcur-101, PCUR-101, Plumbagin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP1A1/Cytochrome P450 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2231] [GtoPdb: 1318] [UniProtKB: P04798] | ||||||||
| ChEMBL | Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control | B | 5.59 | pKi | 2560 | nM | Ki | Medchemcomm (2018) 9: 371-382 [PMID:30108931] |
| ChEMBL | Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control | B | 5.56 | pIC50 | 2770 | nM | IC50 | Medchemcomm (2018) 9: 371-382 [PMID:30108931] |
| mitogen-activated protein kinase kinase 7/Dual specificity mitogen-activated protein kinase kinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3530] [GtoPdb: 2068] [UniProtKB: O14733] | ||||||||
| ChEMBL | Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan method | B | 4.85 | pKd | 14000 | nM | Kd | Eur J Med Chem (2019) 183: 111719-111719 [PMID:31563013] |
| Dual specificity phosphatase Cdc25A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3775] [UniProtKB: P30304] | ||||||||
| ChEMBL | Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay | B | 6.15 | pIC50 | 700 | nM | IC50 | Eur J Med Chem (2019) 183: 111719-111719 [PMID:31563013] |
| Dual specificity phosphatase Cdc25B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4804] [UniProtKB: P30305] | ||||||||
| ChEMBL | Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay | B | 5.51 | pIC50 | 3100 | nM | IC50 | Eur J Med Chem (2019) 183: 111719-111719 [PMID:31563013] |
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| 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 | 5.42 | pIC50 | 3800 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| 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 | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| E1A binding protein p300/Histone acetyltransferase p300 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472] | ||||||||
| ChEMBL | Binding affinity to p300 (unknown origin) by ITC analysis | B | 5.7 | pKd | 2000 | nM | Kd | Medchemcomm (2012) 3: 135-161 |
| GtoPdb | - | - | 4.6 | pIC50 | 25000 | nM | IC50 | J Biol Chem (2009) 284: 24453-64 [PMID:19570987] |
| ChEMBL | Inhibition of full length recombinant His6-tagged p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2016) 59: 1249-1270 [PMID:26701186] |
| ChEMBL | Displacement of [3H]-acetyl-CoA from recombinant P300 (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition measured after 10 mins | B | 4.7 | pIC50 | 20000 | nM | IC50 | Eur J Med Chem (2019) 178: 259-286 [PMID:31195169] |
| ChEMBL | Inhibition of P300 in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis | B | 4.7 | pIC50 | 20000 | nM | IC50 | Eur J Med Chem (2019) 178: 259-286 [PMID:31195169] |
| ChEMBL | Inhibition of recombinant full length p300 (unknown origin) expressed in baculovirus infected insect Sf21 cells using [3H]acetyl-CoA as substrate | B | 5.7 | pIC50 | 2000 | nM | IC50 | Medchemcomm (2012) 3: 135-161 |
| ChEMBL | Inhibition of recombinant His6-tagged p300 catalytic domain (1284 to1673 residues) (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2016) 59: 1249-1270 [PMID:26701186] |
| lysine acetyltransferase 2B/Histone acetyltransferase PCAF in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5500] [GtoPdb: 2737] [UniProtKB: Q92831] | ||||||||
| GtoPdb | - | - | 4.3 | pIC50 | >50000 | nM | IC50 | J Biol Chem (2009) 284: 24453-64 [PMID:19570987] |
| ChEMBL | Inhibition of recombinant PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2016) 59: 1249-1270 [PMID:26701186] |
| ChEMBL | Displacement of [3H]-acetyl-CoA from recombinant PCAF (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition measured after 10 mins | B | 4.3 | pIC50 | >50000 | nM | IC50 | Eur J Med Chem (2019) 178: 259-286 [PMID:31195169] |
| ChEMBL | Inhibition of PCAF in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis | B | 4.3 | pIC50 | >50000 | nM | IC50 | Eur J Med Chem (2019) 178: 259-286 [PMID:31195169] |
| 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 | 5.2 | pIC50 | 6300 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558] | ||||||||
| ChEMBL | Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assay | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4515-4520 [PMID:20580552] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against Plasmodium falciparum | F | 6.57 | pIC50 | 270 | nM | IC50 | Bioorg Med Chem (2009) 17: 3229-3256 [PMID:19299148] |
| erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
| ChEMBL | Inhibition of HER2 (unknown origin) by ADP-Glo assay | B | 4.51 | pIC50 | 30800 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 126-131 [PMID:24355130] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| ChEMBL | Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis | B | 6.34 | pEC50 | 460 | nM | EC50 | J Nat Prod (2016) 79: 697-703 [PMID:26905390] |
| Trypanothione reductase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5131] [UniProtKB: P28593] | ||||||||
| ChEMBL | Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate | B | 4.55 | pIC50 | 28000 | nM | IC50 | Bioorg Med Chem Lett (2000) 10: 631-635 [PMID:10762041] |
| ChEMBL | Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 uM T(S)2. | B | 4.55 | pIC50 | 28000 | nM | IC50 | J Med Chem (2001) 44: 548-565 [PMID:11170645] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
