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BDBM50312709 CHEMBL1080749::trans-4-cyclohexyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol

SMILES: CC(C)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCCCC2)c1[C@@H](O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=IDGSHGWPUQMIEI-LVXARBLLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312709   
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))
BDBM50312709
PNG
(CHEMBL1080749 | trans-4-cyclohexyl-3-(hydroxy(4-(t...)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCCCC2)c1[C@@H](O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H36F3NO2/c1-16(2)25-24(26(34)18-10-12-19(13-11-18)28(29,30)31)22(17-8-6-5-7-9-17)23-20(32-25)14-27(3,4)15-21(23)33/h10-13,16-17,21,26,33-34H,5-9,14-15H2,1-4H3/t21-,26-/m0/s1
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MMDB

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Article
PubMed
n/an/a 80n/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