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SMILES: COc1cc(F)c(cc1-c1ccc(SC(C)C)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C

InChI Key: InChIKey=VHECVVWOCPJJKP-YRVHBCJASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360878   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50360878
PNG
(CHEMBL1935008)
Show SMILES COc1cc(F)c(cc1-c1ccc(SC(C)C)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C32H32F7NO3S/c1-16(2)25-13-26(28(42-6)14-27(25)33)24-8-7-23(44-17(3)4)11-20(24)15-40-18(5)29(43-30(40)41)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39/h7-14,16-18,29H,15H2,1-6H3/t18-,29-/m0/s1
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n/an/a 689n/an/an/an/an/an/a



Merck Sharp& Dohme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis

Bioorg Med Chem Lett 22: 199-203 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74
More data for this
Ligand-Target Pair