Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50345657'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50345657 (CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...) Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50345657 (CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...) Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human recombinant aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate by fluorimetric analysis				J Med Chem 54: 4006-17 (2011) Article DOI: 10.1021/jm2000689 BindingDB Entry DOI: 10.7270/Q2N58MPP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50345657 (CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...) Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair