BDBM50185242 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one O-propionyloxime::CHEMBL381552

SMILES: CCC(=O)ON=C1c2ccccc2CCc2ncccc12

InChI Key: InChIKey=YJYQHTKZWAGRQV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50185242   

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))	BDBM50185242 (10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridi...) Show SMILES CCC(=O)ON=C1c2ccccc2CCc2ncccc12 |w:5.4| Show InChI InChI=1S/C17H16N2O2/c1-2-16(20)21-19-17-13-7-4-3-6-12(13)9-10-15-14(17)8-5-11-18-15/h3-8,11H,2,9-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli JM109				J Med Chem 49: 2417-30 (2006) Article DOI: 10.1021/jm0508538 BindingDB Entry DOI: 10.7270/Q2930TZX
					More data for this Ligand-Target Pair