BDBM50191603 3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrophenyl)-4H-chromen-4-one::3-(imidazolylmethyl)-7-methoxy-4'-nitroflavone::CHEMBL212168

SMILES: COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O

InChI Key: InChIKey=DTEZOESXMOWJRN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50191603   

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))	BDBM50191603 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrop...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3	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	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50191603 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrop...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3	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	470	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 19A1 (Homo sapiens (Human))	BDBM50191603 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrop...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3	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	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair