BDBM10000 (4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyridin-3-ylmethanol::6-Methoxybenzofuran-2-yl-(4-fluorophenyl)-3-pyridylmethanol::Benzofuran Pyridine Derivative 4a

SMILES: COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1

InChI Key: InChIKey=HBDRSBZVRRBXMY-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10000   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM10000 ((4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI InChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
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