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 |
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| Cell division protein FtsZ in Bacillus subtilis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2417349] [UniProtKB: A5Z1V5] | ||||||||
| ChEMBL | Binding affinity to Bacillus subtilis FtsZ assessed as dissociation constant of intrinsic tryptophan quenching incubated for 30 mins by double reciprocal plot analysis | B | 4.8 | pKd | 15800 | nM | Kd | Bioorg Med Chem (2021) 50: 116463-116463 [PMID:34700238] |
| 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 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]
