BDBM50325626 (4-amino-3-chlorophenyl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone::CHEMBL1224317

SMILES: CC(C)(C)CCC1(CCNC1)C(=O)c1ccc(N)c(Cl)c1

InChI Key: InChIKey=APFRQKRCPYHTLD-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 = 50325626   

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))	BDBM50325626 ((4-amino-3-chlorophenyl)(3-(3,3-dimethylbutyl)pyrr...) Show SMILES CC(C)(C)CCC1(CCNC1)C(=O)c1ccc(N)c(Cl)c1 Show InChI InChI=1S/C17H25ClN2O/c1-16(2,3)6-7-17(8-9-20-11-17)15(21)12-4-5-14(19)13(18)10-12/h4-5,10,20H,6-9,11,19H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	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