BDBM50145550 2,2-Dimethyl-thiopropionic acid S-(4-fluoro-2-{[1-(3-methyl-butyl)-cyclohexanecarbonyl]-amino}-phenyl) ester::CHEMBL313029

SMILES: CC(C)CCC1(CCCCC1)C(=O)Nc1cc(F)ccc1SC(=O)C(C)(C)C

InChI Key: InChIKey=QRUWEPAFXQSBDS-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 = 50145550   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50145550 (2,2-Dimethyl-thiopropionic acid S-(4-fluoro-2-{[1-...) Show SMILES CC(C)CCC1(CCCCC1)C(=O)Nc1cc(F)ccc1SC(=O)C(C)(C)C Show InChI InChI=1S/C23H34FNO2S/c1-16(2)11-14-23(12-7-6-8-13-23)20(26)25-18-15-17(24)9-10-19(18)28-21(27)22(3,4)5/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of CETP activity was assessed by measuring the rate of [3H]- cholesteryl ester transfer from HDL to apoprotein B-containing lipop...				Bioorg Med Chem Lett 14: 2589-91 (2004) Article DOI: 10.1016/j.bmcl.2004.02.071 BindingDB Entry DOI: 10.7270/Q2VQ324C
					More data for this Ligand-Target Pair