BDBM50325641 (S)-(3,4-dichlorophenyl)(2-propylpyrrolidin-2-yl)methanone::CHEMBL1224025

SMILES: CCC[C@]1(CCCN1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HWJCHTVVHUINLQ-AWEZNQCLSA-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 = 50325641   

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))	BDBM50325641 ((S)-(3,4-dichlorophenyl)(2-propylpyrrolidin-2-yl)m...) Show SMILES CCC[C@]1(CCCN1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-6-14(7-3-8-17-14)13(18)10-4-5-11(15)12(16)9-10/h4-5,9,17H,2-3,6-8H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5559-66 (2010) Article DOI: 10.1016/j.bmcl.2010.07.020 BindingDB Entry DOI: 10.7270/Q20865HF
					More data for this Ligand-Target Pair