BDBM10005 1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole::1-[(6-Methoxybenzofuran-2-yl)-(4-chlorophenyl)methyl]-1H-1,2,4-triazole::Benzofuran Triazole Derivative 7b

SMILES: COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1

InChI Key: InChIKey=NSSXLAQTZVKYHU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10005   

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))	BDBM10005 (1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C18H14ClN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,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
					More data for this Ligand-Target Pair