BDBM50265438 6-((1H-imidazol-1-yl)(4-methoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol::CHEMBL522733::NSC-369087

SMILES: COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1

InChI Key: InChIKey=SLZWZNUKPMKGCR-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50265438   

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))	BDBM50265438 (6-((1H-imidazol-1-yl)(4-methoxyphenyl)methyl)benzo...) Show SMILES COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1 Show InChI InChI=1S/C18H16N2O4/c1-22-13-4-2-12(3-5-13)18(20-7-6-19-10-20)14-8-16-17(9-15(14)21)24-11-23-16/h2-10,18,21H,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	13.1	n/a	n/a	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 Lineweaver-Burk plot 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
Protein Disulfide-Isomerase (PDI) (Homo sapiens (Human))	BDBM50265438 (6-((1H-imidazol-1-yl)(4-methoxyphenyl)methyl)benzo...) Show SMILES COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1 Show InChI InChI=1S/C18H16N2O4/c1-22-13-4-2-12(3-5-13)18(20-7-6-19-10-20)14-8-16-17(9-15(14)21)24-11-23-16/h2-10,18,21H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50265438 (6-((1H-imidazol-1-yl)(4-methoxyphenyl)methyl)benzo...) Show SMILES COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1 Show InChI InChI=1S/C18H16N2O4/c1-22-13-4-2-12(3-5-13)18(20-7-6-19-10-20)14-8-16-17(9-15(14)21)24-11-23-16/h2-10,18,21H,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	55	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