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BDBM50094524 (R)-1,1,1-trifluoro-3-((3-(trifluoromethylthio)benzyl)(3,4,5-trimethoxyphenyl)amino)propan-2-ol::1,1,1-Trifluoro-3-[(3-trifluoromethylsulfanyl-benzyl)-(3,4,5-trimethoxy-phenyl)-amino]-propan-2-ol::CHEMBL126074

SMILES: COc1cc(cc(OC)c1OC)N(C[C@@H](O)C(F)(F)F)Cc1cccc(SC(F)(F)F)c1

InChI Key: InChIKey=PKXHKSUTOFGDQB-QGZVFWFLSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094524   
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))
BDBM50094524
PNG
((R)-1,1,1-trifluoro-3-((3-(trifluoromethylthio)ben...)
Show SMILES COc1cc(cc(OC)c1OC)N(C[C@@H](O)C(F)(F)F)Cc1cccc(SC(F)(F)F)c1
Show InChI InChI=1S/C20H21F6NO4S/c1-29-15-8-13(9-16(30-2)18(15)31-3)27(11-17(28)19(21,22)23)10-12-5-4-6-14(7-12)32-20(24,25)26/h4-9,17,28H,10-11H2,1-3H3/t17-/m1/s1
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP-mediated transfer of [3H]-CE from HDL to LDL


J Med Chem 43: 4575-8 (2001)


Article DOI: 10.1021/jm000337b
BindingDB Entry DOI: 10.7270/Q2X0669S
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50094524
PNG
((R)-1,1,1-trifluoro-3-((3-(trifluoromethylthio)ben...)
Show SMILES COc1cc(cc(OC)c1OC)N(C[C@@H](O)C(F)(F)F)Cc1cccc(SC(F)(F)F)c1
Show InChI InChI=1S/C20H21F6NO4S/c1-29-15-8-13(9-16(30-2)18(15)31-3)27(11-17(28)19(21,22)23)10-12-5-4-6-14(7-12)32-20(24,25)26/h4-9,17,28H,10-11H2,1-3H3/t17-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094524
PNG
((R)-1,1,1-trifluoro-3-((3-(trifluoromethylthio)ben...)
Show SMILES COc1cc(cc(OC)c1OC)N(C[C@@H](O)C(F)(F)F)Cc1cccc(SC(F)(F)F)c1
Show InChI InChI=1S/C20H21F6NO4S/c1-29-15-8-13(9-16(30-2)18(15)31-3)27(11-17(28)19(21,22)23)10-12-5-4-6-14(7-12)32-20(24,25)26/h4-9,17,28H,10-11H2,1-3H3/t17-/m1/s1
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PC sid
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.


J Med Chem 45: 3891-904 (2002)


Article DOI: 10.1021/jm020038h
BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair