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ChEMBL ligand: CHEMBL244743 (6,7-Dihydroxycoumarin, Esculetin) |
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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 B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
ChEMBL | Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis | B | 4.17 | pIC50 | 67200 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5630-5633 [PMID:20805028] |
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
ChEMBL | Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay | B | 7.44 | pKi | 36.4 | nM | Ki | Eur J Med Chem (2018) 143: 276-282 [PMID:29197732] |
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
ChEMBL | Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay | B | 8.03 | pKi | 9.3 | nM | Ki | Eur J Med Chem (2018) 143: 276-282 [PMID:29197732] |
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
ChEMBL | Inhibition of COX1 | B | 4.24 | pIC50 | 57000 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820] | ||||||||
ChEMBL | Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay | B | 5.83 | pKi | 1490 | nM | Ki | Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896] |
ChEMBL | Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay | B | 5.06 | pIC50 | 8770 | nM | IC50 | Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896] |
Sorbitol dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2275] [UniProtKB: Q00796] | ||||||||
ChEMBL | Inhibition sorbitol dehydrogenase by spectrophotometric analysis | B | 4.08 | pIC50 | 82900 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5630-5633 [PMID:20805028] |
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
ChEMBL | Inhibition of xanthine oxidase | B | 5.09 | pIC50 | 8200 | nM | IC50 | Eur J Med Chem (2007) 42: 1028-1031 [PMID:17316915] |
CYP2A6 in Human [GtoPdb: 1321] [UniProtKB: P11509] | ||||||||
GtoPdb | - | - | 6.41 | pIC50 | 390 | nM | IC50 | Eur J Pharm Sci (2019) 136: 104944 [PMID:31163215] |
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]