BDBM9917 3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one::CHEMBL376786::Nonsteroidal Aromatase Inhibitor 2S

SMILES: Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1

InChI Key: InChIKey=CRDMIHRISHLNPC-SFHVURJKSA-N

Data: 2 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 3 hits for monomerid = 9917   

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))	BDBM9917 (3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...) Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9917 (3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...) Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH				J Med Chem 52: 143-50 (2009) Article DOI: 10.1021/jm800945c BindingDB Entry DOI: 10.7270/Q2SQ9080
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM9917 (3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...) Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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