BDBM50443195 CHEMBL3087343

SMILES: C[C@H](C(=O)Nc1ccc(cc1)-c1ccnc(C)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=JHIBNQJIDVCRSZ-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 = 50443195   

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))	BDBM50443195 (CHEMBL3087343) Show SMILES C[C@H](C(=O)Nc1ccc(cc1)-c1ccnc(C)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H18F6N2O/c1-13-9-16(7-8-30-13)15-3-5-20(6-4-15)31-21(32)14(2)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h3-12,14H,1-2H3,(H,31,32)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) after 10 mins				Bioorg Med Chem Lett 23: 6447-54 (2013) Article DOI: 10.1016/j.bmcl.2013.09.041 BindingDB Entry DOI: 10.7270/Q2C53N9S
					More data for this Ligand-Target Pair