BDBM9915 3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-chromen-4-one::Nonsteroidal Aromatase Inhibitor 1S

SMILES: O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1

InChI Key: InChIKey=GQUCRMYPRQVAIK-SFHVURJKSA-N

Data: 1 IC50  1 Other

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 2 hits for monomerid = 9915   

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 17A1 (Homo sapiens (Human))	BDBM9915 (3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...) Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
University of Bologna					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9915 (3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...) Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	7.4	30
University of Bologna					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9
					More data for this Ligand-Target Pair