BDBM9475 4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-one::CHEMBL437731::Coumarin deriv. 24

SMILES: O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1

InChI Key: InChIKey=FUYHNARLSZKQAR-UHFFFAOYSA-N

Data: 8 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 9 hits for monomerid = 9475   

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))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	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	51	n/a	n/a	n/a	n/a	7.4	30
University of Bari					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...				J Med Chem 47: 6792-803 (2004) Article DOI: 10.1021/jm049535j BindingDB Entry DOI: 10.7270/Q2MS3R0C
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	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	n/a	n/a
University of Bari					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 47: 6792-803 (2004) Article DOI: 10.1021/jm049535j BindingDB Entry DOI: 10.7270/Q2MS3R0C
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method				Eur J Med Chem 89: 106-14 (2014) Article DOI: 10.1016/j.ejmech.2014.10.021 BindingDB Entry DOI: 10.7270/Q2B56MC3
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	933	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...				Eur J Med Chem 89: 106-14 (2014) Article DOI: 10.1016/j.ejmech.2014.10.021 BindingDB Entry DOI: 10.7270/Q2B56MC3
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate				J Med Chem 54: 1613-25 (2011) Article DOI: 10.1021/jm101120u BindingDB Entry DOI: 10.7270/Q24X583Q
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
American University of Ras Al Khaimah Curated by ChEMBL					Assay Description Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method				Eur J Med Chem 102: 375-86 (2015) BindingDB Entry DOI: 10.7270/Q2ZC84Q6
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	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	51	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))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human placental microsomal aromatase using testosterone as substrate				Eur J Med Chem 119: 141-68 (2016) BindingDB Entry DOI: 10.7270/Q29Z96V5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM9475 (4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...) Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...				Eur J Med Chem 89: 106-14 (2014) Article DOI: 10.1016/j.ejmech.2014.10.021 BindingDB Entry DOI: 10.7270/Q2B56MC3
					More data for this Ligand-Target Pair