BDBM50443202 CHEMBL3087041

SMILES: FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(C=C)c1)C(F)(F)F

InChI Key: InChIKey=NIYDALVYCLIMEJ-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 = 50443202   

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))	BDBM50443202 (CHEMBL3087041) Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(C=C)c1)C(F)(F)F Show InChI InChI=1S/C21H14F6N2O2S/c1-2-17-9-14(7-8-28-17)13-3-5-18(6-4-13)29-32(30,31)19-11-15(20(22,23)24)10-16(12-19)21(25,26)27/h2-12,29H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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