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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50276348'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50276348
PNG
((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...)
Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1
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Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma-derived CETP activity by scintillation proximity assay


J Med Chem 52: 1768-72 (2009)


Article DOI: 10.1021/jm801319d
BindingDB Entry DOI: 10.7270/Q2QZ29VG
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50276348
PNG
((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...)
Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1
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PC sid
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL in human plasma after 18 hrs


J Med Chem 52: 1768-72 (2009)


Article DOI: 10.1021/jm801319d
BindingDB Entry DOI: 10.7270/Q2QZ29VG
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50276348
PNG
((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...)
Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated transfer of cholesteryl ester to LDL/VLDL in human plasma by Roar assay


J Med Chem 52: 1768-72 (2009)


Article DOI: 10.1021/jm801319d
BindingDB Entry DOI: 10.7270/Q2QZ29VG
More data for this
Ligand-Target Pair