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ChEMBL ligand: CHEMBL1466 (Bishydroxycoumarin, Dicoumarol, Dicoumarolum, Dicumarol, NSC-17860, NSC-221570, NSC-41834) |
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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 Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
ChEMBL | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | B | 5.39 | pIC50 | 4093 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ATP phosphoribosyltransferase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6086] [UniProtKB: P9WMN1] | ||||||||
ChEMBL | Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production by spectrophotometry | B | 4.22 | pKi | 60000 | nM | Ki | J Med Chem (2008) 51: 5984-5992 [PMID:18778048] |
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 6.52 | pIC50 | 300 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Enoyl-[acyl-carrier-protein] reductase [NADH] in Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2150835] [UniProtKB: Q5NGQ3] | ||||||||
ChEMBL | Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay | B | 4.33 | pIC50 | 47000 | nM | IC50 | J Med Chem (2013) 56: 5275-5287 [PMID:23815100] |
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
ChEMBL | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis | B | 7.41 | pKi | 39 | nM | Ki | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
ChEMBL | Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment assay | B | 5.01 | pEC50 | 9780 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
ChEMBL | Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assay | B | 5.89 | pEC50 | 1300 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
ChEMBL | Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay | B | 5.89 | pEC50 | 1300 | nM | EC50 | J Med Chem (2017) 60: 362-372 [PMID:27976894] |
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
ChEMBL | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | F | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (1997) 40: 242-249 [PMID:9003523] |
ChEMBL | Integration of DNA by HIV -1 integrase | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (1997) 40: 242-249 [PMID:9003523] |
mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.35 | pIC50 | 4426 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NAD(P)H dehydrogenase [quinone] 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3091269] [UniProtKB: P05982] | ||||||||
ChEMBL | Competitive binding affinity to rat liver NQO1 in presence of NADPH | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2018) 61: 6983-7003 [PMID:29712428] |
Quinone reductase 1) in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3623] [UniProtKB: P15559] | ||||||||
ChEMBL | Inhibition of human recombinant NQO1 | B | 6.35 | pIC50 | 450 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 6246-6254 [PMID:17011189] |
ChEMBL | Inhibition of human recombinant NQO1 in presence of BSA | B | 6.35 | pIC50 | 450 | nM | IC50 | J Med Chem (2007) 50: 6316-6325 [PMID:17999461] |
ChEMBL | Inhibition of human recombinant NQO1 in presence of BSA | B | 6.39 | pIC50 | 404 | nM | IC50 | J Med Chem (2009) 52: 7142-7156 [PMID:19877692] |
ChEMBL | Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/v) BSA | B | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2017) 127: 828-839 [PMID:27829520] |
ChEMBL | Inhibition of human recombinant NQO1 | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2007) 50: 6316-6325 [PMID:17999461] |
ChEMBL | Inhibition of human recombinant NQO1 | B | 8.59 | pIC50 | 2.6 | nM | IC50 | J Med Chem (2009) 52: 7142-7156 [PMID:19877692] |
proprotein convertase subtilisin/kexin type 7/Subtilisin/kexin type 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2232] [GtoPdb: 2387] [UniProtKB: Q16549] | ||||||||
ChEMBL | Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Nat Prod (2011) 74: 1353-1357 [PMID:21510613] |
Urease in Canavalia ensiformis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4161] [UniProtKB: P07374] | ||||||||
ChEMBL | Inhibition of jack bean urease | B | 4.82 | pIC50 | 15135.61 | nM | IC50 | Bioorg Med Chem (2008) 16: 3456-3461 [PMID:18280742] |
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]