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BDBM50312710 CHEMBL1080750::trans-4-cyclohexyl-2-cyclopentyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol

SMILES: CC1(C)C[C@H](O)c2c(C1)nc(C1CCCC1)c([C@@H](O)c1ccc(cc1)C(F)(F)F)c2C1CCCCC1

InChI Key: InChIKey=STYMPUZEPCZPEZ-FIPFOOKPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312710   
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))
BDBM50312710
PNG
(CHEMBL1080750 | trans-4-cyclohexyl-2-cyclopentyl-3...)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCCC1)c([C@@H](O)c1ccc(cc1)C(F)(F)F)c2C1CCCCC1 |r|
Show InChI InChI=1S/C30H38F3NO2/c1-29(2)16-22-25(23(35)17-29)24(18-8-4-3-5-9-18)26(27(34-22)19-10-6-7-11-19)28(36)20-12-14-21(15-13-20)30(31,32)33/h12-15,18-19,23,28,35-36H,3-11,16-17H2,1-2H3/t23-,28-/m0/s1
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MMDB

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of CETP assessed as cholesterol ester transfer after 4 hrs by microemulsion based fluorescence assay


Bioorg Med Chem Lett 20: 1740-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.071
BindingDB Entry DOI: 10.7270/Q28S4Q1P
More data for this
Ligand-Target Pair