BDBM50325642 (4-amino-3-chlorophenyl)(2-isobutylpyrrolidin-2-yl)methanone::CHEMBL1224090

SMILES: CC(C)CC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1

InChI Key: InChIKey=KSKOKUBPUSATCC-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 = 50325642   

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))	BDBM50325642 ((4-amino-3-chlorophenyl)(2-isobutylpyrrolidin-2-yl...) Show SMILES CC(C)CC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1 Show InChI InChI=1S/C15H21ClN2O/c1-10(2)9-15(6-3-7-18-15)14(19)11-4-5-13(17)12(16)8-11/h4-5,8,10,18H,3,6-7,9,17H2,1-2H3	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