BDBM50328224 4-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperazin-1-yl)benzoic acid::CHEMBL1258819

SMILES: OC(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NPOCSRYOCANNPT-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 = 50328224   

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))	BDBM50328224 (4-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F6N3O3S/c18-16(19,20)15(29,17(21,22)23)12-9-24-14(30-12)26-7-5-25(6-8-26)11-3-1-10(2-4-11)13(27)28/h1-4,9,29H,5-8H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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