BDBM50175295 CHEMBL3808895

SMILES: COc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1

InChI Key: InChIKey=GSKRJNPXCZQTHS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50175295   

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 2D6 (Homo sapiens (Human))	BDBM50175295 (CHEMBL3808895) Show SMILES COc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 Show InChI InChI=1S/C19H16N2O4/c1-24-16-5-2-4-13(12-16)18(22)20-14-7-9-15(10-8-14)21-19(23)17-6-3-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50175295 (CHEMBL3808895) Show SMILES COc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 Show InChI InChI=1S/C19H16N2O4/c1-24-16-5-2-4-13(12-16)18(22)20-14-7-9-15(10-8-14)21-19(23)17-6-3-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair