BDBM50443203 CHEMBL3087040

SMILES: COc1cc(ccc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccnc(C)c1

InChI Key: InChIKey=VBKISNMTKAPFLS-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 = 50443203   

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))	BDBM50443203 (CHEMBL3087040) Show SMILES COc1cc(ccc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccnc(C)c1 Show InChI InChI=1S/C21H16F6N2O3S/c1-12-7-14(5-6-28-12)13-3-4-18(19(8-13)32-2)29-33(30,31)17-10-15(20(22,23)24)9-16(11-17)21(25,26)27/h3-11,29H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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