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BDBM50392499 CHEMBL2152152

SMILES: Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F

InChI Key: InChIKey=BLGKGVMDNWKDHK-VWLOTQADSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50392499   
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))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated [3H]cholesteryl ester transfer activity in human plasma after 2.5 hrs by scintillation counter


J Med Chem 55: 6162-75 (2012)


Article DOI: 10.1021/jm300611v
BindingDB Entry DOI: 10.7270/Q2KH0PF5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated [3H]cholesteryl ester transfer activity in human plasma after 2.5 hrs by scintillation counter


J Med Chem 55: 6162-75 (2012)


Article DOI: 10.1021/jm300611v
BindingDB Entry DOI: 10.7270/Q2KH0PF5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated [3H]cholesteryl ester transfer from HDL to biotinylated LDL by scintillation proximity assay


J Med Chem 55: 6162-75 (2012)


Article DOI: 10.1021/jm300611v
BindingDB Entry DOI: 10.7270/Q2KH0PF5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 1.57E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma using [3H]cholesterol ester/HDL as substrate after 10 mins by scintillation counting


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma using [3H]-CE/HDL after 10 mins


Bioorg Med Chem Lett 24: 860-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.088
BindingDB Entry DOI: 10.7270/Q2WM1FW9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay


Bioorg Med Chem Lett 24: 860-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.088
BindingDB Entry DOI: 10.7270/Q2WM1FW9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392499
PNG
(CHEMBL2152152)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24ClF4N3O/c27-20-10-11-23(32-16-20)25(15-17-6-2-1-3-7-17,34-24(35)33-22-8-4-5-9-22)18-12-19(26(29,30)31)14-21(28)13-18/h1-3,6-7,10-14,16,22H,4-5,8-9,15H2,(H2,33,34,35)/t25-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated [3H]cholesteryl ester transfer from HDL to biotinylated LDL by scintillation proximity assay


J Med Chem 55: 6162-75 (2012)


Article DOI: 10.1021/jm300611v
BindingDB Entry DOI: 10.7270/Q2KH0PF5
More data for this
Ligand-Target Pair