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PubMed code 24424134

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
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))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 7n/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
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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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))
BDBM50447540
PNG
(CHEMBL3116159)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2CCCCc2s1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H23ClF5N3OS/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,37-26-36-22-8-4-5-9-23(22)39-26)18-12-20(30)14-21(13-18)38-28(33,34)25(31)32/h1-3,6-7,10-14,16,25H,4-5,8-9,15H2,(H,36,37)/t27-/m1/s1
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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))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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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))
BDBM50447536
PNG
(CHEMBL2165706)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F
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)
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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))
BDBM50447544
PNG
(CHEMBL3116344)
Show SMILES Fc1cc(cc(c1)[C@@](Cc1ccccc1)(Nc1nc2CCCc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF4N3S/c27-19-9-10-23(32-15-19)25(14-16-5-2-1-3-6-16,34-24-33-21-7-4-8-22(21)35-24)17-11-18(26(29,30)31)13-20(28)12-17/h1-3,5-6,9-13,15H,4,7-8,14H2,(H,33,34)/t25-/m1/s1
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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))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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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))
BDBM50447546
PNG
(CHEMBL3116346)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)/t24-/m1/s1
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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))
BDBM50447542
PNG
(CHEMBL3116161)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C26H21ClF5N3OS/c1-15-16(2)37-24(34-15)35-25(13-17-6-4-3-5-7-17,22-9-8-19(27)14-33-22)18-10-20(28)12-21(11-18)36-26(31,32)23(29)30/h3-12,14,23H,13H2,1-2H3,(H,34,35)/t25-/m1/s1
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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))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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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))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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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))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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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))
BDBM50447548
PNG
(CHEMBL3116348)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H14BrClF7N3S/c25-20-19(24(31,32)33)35-21(37-20)36-22(11-13-4-2-1-3-5-13,18-7-6-16(26)12-34-18)14-8-15(23(28,29)30)10-17(27)9-14/h1-10,12H,11H2,(H,35,36)
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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))
BDBM50447535
PNG
(CHEMBL3116357)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H19ClF4N4/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)36-25-34-22-8-4-5-9-23(22)35-25/h1-14,16H,15H2,(H2,34,35,36)
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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))
BDBM50447550
PNG
(CHEMBL3116349)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2CCCCc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H22ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35)
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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))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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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))
BDBM50447554
PNG
(CHEMBL3116359)
Show SMILES Cc1nc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)
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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))
BDBM50447537
PNG
(CHEMBL3116355)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H18ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-14,16H,15H2,(H,34,35)
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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))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 630n/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))
BDBM50447552
PNG
(CHEMBL3116352)
Show SMILES CCc1csc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C25H20ClF4N3S/c1-2-21-15-34-23(32-21)33-24(13-16-6-4-3-5-7-16,22-9-8-19(26)14-31-22)17-10-18(25(28,29)30)12-20(27)11-17/h3-12,14-15H,2,13H2,1H3,(H,32,33)
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n/an/a 700n/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))
BDBM50447553
PNG
(CHEMBL3116353)
Show SMILES Cc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)s1
Show InChI InChI=1S/C24H18ClF4N3S/c1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h2-11,13-14H,12H2,1H3,(H,31,32)
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n/an/a 1.10E+3n/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))
BDBM50447549
PNG
(CHEMBL3116350)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H15ClF7N3S/c25-17-6-7-19(33-12-17)22(11-14-4-2-1-3-5-14,35-21-34-20(13-36-21)24(30,31)32)15-8-16(23(27,28)29)10-18(26)9-15/h1-10,12-13H,11H2,(H,34,35)
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n/an/a 1.20E+3n/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))
BDBM50392500
PNG
(CHEMBL2152153)
Show SMILES Fc1cc(cc(c1)[C@@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F
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-/m1/s1
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n/an/a 1.20E+3n/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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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))
BDBM50447558
PNG
(CHEMBL3116356)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2o1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H18ClF4N3O/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-14,16H,15H2,(H,34,35)
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n/an/a 2.00E+3n/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
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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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n/an/a 3.20E+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))
BDBM50447540
PNG
(CHEMBL3116159)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2CCCCc2s1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H23ClF5N3OS/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,37-26-36-22-8-4-5-9-23(22)39-26)18-12-20(30)14-21(13-18)38-28(33,34)25(31)32/h1-3,6-7,10-14,16,25H,4-5,8-9,15H2,(H,36,37)/t27-/m1/s1
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n/an/a 4.20E+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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
BDBM50447542
PNG
(CHEMBL3116161)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C26H21ClF5N3OS/c1-15-16(2)37-24(34-15)35-25(13-17-6-4-3-5-7-17,22-9-8-19(27)14-33-22)18-10-20(28)12-21(11-18)36-26(31,32)23(29)30/h3-12,14,23H,13H2,1-2H3,(H,34,35)/t25-/m1/s1
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n/an/a 5.50E+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))
BDBM50447536
PNG
(CHEMBL2165706)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F
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)
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n/an/a 5.50E+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))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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n/an/a 6.40E+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))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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n/an/a 6.50E+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))
BDBM50447551
PNG
(CHEMBL3116351)
Show SMILES CC(C)(C)c1csc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C27H24ClF4N3S/c1-25(2,3)23-16-36-24(34-23)35-26(14-17-7-5-4-6-8-17,22-10-9-20(28)15-33-22)18-11-19(27(30,31)32)13-21(29)12-18/h4-13,15-16H,14H2,1-3H3,(H,34,35)
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n/an/a 7.50E+3n/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))
BDBM50447544
PNG
(CHEMBL3116344)
Show SMILES Fc1cc(cc(c1)[C@@](Cc1ccccc1)(Nc1nc2CCCc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF4N3S/c27-19-9-10-23(32-15-19)25(14-16-5-2-1-3-6-16,34-24-33-21-7-4-8-22(21)35-24)17-11-18(26(29,30)31)13-20(28)12-17/h1-3,5-6,9-13,15H,4,7-8,14H2,(H,33,34)/t25-/m1/s1
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n/an/a 8.20E+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))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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n/an/a 9.50E+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))
BDBM50447543
PNG
(CHEMBL3116343)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(Nc1nc2CCCCc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H22ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35)/t26-/m0/s1
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n/an/a 1.08E+4n/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))
BDBM50447556
PNG
(CHEMBL3116354)
Show SMILES Cn1nnc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C22H17ClF4N6/c1-33-31-20(30-32-33)29-21(12-14-5-3-2-4-6-14,19-8-7-17(23)13-28-19)15-9-16(22(25,26)27)11-18(24)10-15/h2-11,13H,12H2,1H3,(H,29,31)
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n/an/a 1.10E+4n/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))
BDBM50447557
PNG
(CHEMBL3116360)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1ncc(o1)-c1ccccc1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C29H20ClF4N3O/c30-23-11-12-26(35-17-23)28(16-19-7-3-1-4-8-19,21-13-22(29(32,33)34)15-24(31)14-21)37-27-36-18-25(38-27)20-9-5-2-6-10-20/h1-15,17-18H,16H2,(H,36,37)
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n/an/a 1.20E+4n/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))
BDBM50447545
PNG
(CHEMBL3116345)
Show SMILES Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)/t24-/m0/s1
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n/an/a 1.22E+4n/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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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n/an/a 1.48E+4n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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n/an/a 1.50E+4n/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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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))
BDBM50447546
PNG
(CHEMBL3116346)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)/t24-/m1/s1
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n/an/a 1.73E+4n/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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
BDBM50447535
PNG
(CHEMBL3116357)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H19ClF4N4/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)36-25-34-22-8-4-5-9-23(22)35-25/h1-14,16H,15H2,(H2,34,35,36)
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n/an/a 1.96E+4n/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))
BDBM50447550
PNG
(CHEMBL3116349)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2CCCCc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H22ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35)
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n/an/a 2.02E+4n/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))
BDBM50447537
PNG
(CHEMBL3116355)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2s1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H18ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25/h1-14,16H,15H2,(H,34,35)
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n/an/a 2.30E+4n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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))
BDBM50447554
PNG
(CHEMBL3116359)
Show SMILES Cc1nc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)
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n/an/a 2.95E+4n/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))
BDBM50447559
PNG
(CHEMBL3116358)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nnc([nH]1)-c1ccccc1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C28H20ClF4N5/c29-22-11-12-24(34-17-22)27(16-18-7-3-1-4-8-18,20-13-21(28(31,32)33)15-23(30)14-20)36-26-35-25(37-38-26)19-9-5-2-6-10-19/h1-15,17H,16H2,(H2,35,36,37,38)
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n/an/a>3.20E+4n/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))
BDBM50447547
PNG
(CHEMBL3116347)
Show SMILES COC(=O)c1sc(NC(Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)nc1C
Show InChI InChI=1S/C26H20ClF4N3O2S/c1-15-22(23(35)36-2)37-24(33-15)34-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-32-21)17-10-18(26(29,30)31)12-20(28)11-17/h3-12,14H,13H2,1-2H3,(H,33,34)
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n/an/a 3.20E+4n/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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447555
PNG
(CHEMBL3116154)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H18ClF7N4O/c29-17-6-7-23(37-14-17)27(13-15-4-2-1-3-5-15,40-26-38-22-12-19(31)11-21(32)24(22)39-26)16-8-18(30)10-20(9-16)41-28(35,36)25(33)34/h1-12,14,25H,13H2,(H2,38,39,40)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447538
PNG
(CHEMBL3116157)
Show SMILES Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447534
PNG
(CHEMBL3116156)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50447541
PNG
(CHEMBL3116160)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H15BrClF8N3OS/c26-20-19(24(31,32)33)37-22(40-20)38-23(11-13-4-2-1-3-5-13,18-7-6-15(27)12-36-18)14-8-16(28)10-17(9-14)39-25(34,35)21(29)30/h1-10,12,21H,11H2,(H,37,38)/t23-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447539
PNG
(CHEMBL3116158)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H16ClF8N3OS/c26-16-6-7-19(35-12-16)23(11-14-4-2-1-3-5-14,37-22-36-20(13-39-22)24(30,31)32)15-8-17(27)10-18(9-15)38-25(33,34)21(28)29/h1-10,12-13,21H,11H2,(H,36,37)/t23-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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))
BDBM50392500
PNG
(CHEMBL2152153)
Show SMILES Fc1cc(cc(c1)[C@@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1)C(F)(F)F
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-/m1/s1
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n/an/a 7.19E+4n/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
* indicates data uncertainty>20%