BDBM50328218 3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperazin-1-yl)benzonitrile::CHEMBL1258479

SMILES: OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=SDVJBJBRBIOCJZ-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 = 50328218   

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
Malonyl-CoA decarboxylase (Homo sapiens (Human))	BDBM50328218 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F6N4OS/c18-16(19,20)15(28,17(21,22)23)13-10-25-14(29-13)27-6-4-26(5-7-27)12-3-1-2-11(8-12)9-24/h1-3,8,10,28H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair