BDBM50113268 CHEMBL3601440

SMILES: FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12

InChI Key: InChIKey=KFTQGCAPOXTSAY-UHFFFAOYSA-N

Data: 3 KI

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 = 50113268   

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 1A (Homo sapiens (Human))	BDBM50113268 (CHEMBL3601440) Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12 |c:11| Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50113268 (CHEMBL3601440) Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12 |c:11| Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50113268 (CHEMBL3601440) Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12 |c:11| Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair