BDBM50339668 4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy)benzyl]oxy}-2H-chromen-2-one::CHEMBL1688894

SMILES: FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1

InChI Key: InChIKey=SAOHYTLBHRCWIT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50339668   

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))	BDBM50339668 (4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...) Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2	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	207	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 19A1 (Homo sapiens (Human))	BDBM50339668 (4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...) Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2	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	207	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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50339668 (4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...) Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50339668 (4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...) Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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