BDBM50113275 CHEMBL3601511

SMILES: O=c1cc(-c2ccccc2)c2ccc3OCOc3c2o1

InChI Key: InChIKey=DIINFHPVARLJSL-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 = 50113275   

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 1A2 (Homo sapiens (Human))	BDBM50113275 (CHEMBL3601511) Show SMILES O=c1cc(-c2ccccc2)c2ccc3OCOc3c2o1 Show InChI InChI=1S/C16H10O4/c17-14-8-12(10-4-2-1-3-5-10)11-6-7-13-16(15(11)20-14)19-9-18-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.55E+3	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))	BDBM50113275 (CHEMBL3601511) Show SMILES O=c1cc(-c2ccccc2)c2ccc3OCOc3c2o1 Show InChI InChI=1S/C16H10O4/c17-14-8-12(10-4-2-1-3-5-10)11-6-7-13-16(15(11)20-14)19-9-18-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.01E+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))	BDBM50113275 (CHEMBL3601511) Show SMILES O=c1cc(-c2ccccc2)c2ccc3OCOc3c2o1 Show InChI InChI=1S/C16H10O4/c17-14-8-12(10-4-2-1-3-5-10)11-6-7-13-16(15(11)20-14)19-9-18-13/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+5	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