Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50000438 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50348228
(CHEMBL1800807)Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50312718
(CHEMBL479527 | torcetrapib)Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F |r| Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250371
(CHEMBL4064793)Show SMILES CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C30H39F6N5O3/c1-5-23-14-25(15-24(6-2)41(23)28(42)44-19(3)4)40(27-37-16-26(17-38-27)39-7-9-43-10-8-39)18-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h11-13,16-17,19,23-25H,5-10,14-15,18H2,1-4H3/t23-,24+,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250366
(CHEMBL4075773)Show SMILES CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1 |r,wU:4.23,6.6,2.1,13.13,wD:16.20,(37.57,-12.9,;38.91,-13.68,;40.24,-12.9,;40.24,-11.36,;41.57,-10.59,;42.9,-11.36,;42.9,-12.9,;44.24,-13.68,;45.57,-12.9,;41.57,-13.67,;41.57,-15.21,;40.24,-15.97,;42.91,-15.97,;42.91,-17.51,;44.24,-18.28,;44.23,-19.82,;42.89,-20.59,;41.56,-19.82,;41.57,-18.28,;42.89,-22.13,;41.55,-22.9,;44.22,-22.91,;41.57,-9.05,;40.24,-8.27,;40.24,-6.73,;41.58,-5.97,;41.58,-4.43,;40.24,-3.66,;38.9,-4.44,;38.91,-5.98,;37.57,-3.67,;37.56,-2.13,;36.23,-4.45,;36.23,-2.9,;42.91,-3.66,;44.25,-4.44,;42.91,-2.12,;44.24,-2.89,;42.9,-8.28,;44.24,-9.05,;45.57,-8.28,;45.57,-6.74,;44.23,-5.97,;42.9,-6.74,;46.9,-5.97,;48.3,-6.59,;49.34,-5.45,;48.56,-4.11,;49.19,-2.71,;47.05,-4.44,)| Show InChI InChI=1S/C34H40F6N6O4/c1-4-26-13-28(14-27(5-2)46(26)32(49)50-29-8-6-21(7-9-29)30(47)48)45(31-41-15-22(16-42-31)23-17-43-44(3)19-23)18-20-10-24(33(35,36)37)12-25(11-20)34(38,39)40/h10-12,15-17,19,21,26-29H,4-9,13-14,18H2,1-3H3,(H,47,48)/t21-,26-,27+,28+,29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250363
(CHEMBL4070653)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(OC)cn1 |r| Show InChI InChI=1S/C33H38F6N4O3/c1-6-25-16-26(17-27(14-21-10-8-7-9-11-21)43(25)30(44)46-31(2,3)4)42(29-40-18-28(45-5)19-41-29)20-22-12-23(32(34,35)36)15-24(13-22)33(37,38)39/h7-13,15,18-19,25-27H,6,14,16-17,20H2,1-5H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50381415
(EVACETRAPIB | LY2484595)Show SMILES Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 |r,wU:20.21,11.14,wD:8.7,(-5.45,-18.22,;-4.12,-17.45,;-2.78,-18.22,;-1.45,-17.44,;-.11,-18.2,;-1.45,-15.91,;-.01,-15.34,;1.12,-16.38,;2.59,-15.92,;3.91,-16.71,;5.25,-15.96,;5.27,-14.42,;3.95,-13.63,;2.6,-14.38,;6.62,-13.68,;7.94,-14.47,;6.65,-12.14,;.44,-13.86,;-.45,-12.58,;-1.99,-12.47,;-3.03,-13.61,;-4.36,-12.84,;-4.37,-11.31,;-5.7,-10.54,;-5.7,-8.99,;-7.04,-8.22,;-8.37,-8.99,;-8.37,-10.54,;-7.04,-11.31,;-9.7,-11.31,;-11.04,-10.54,;-9.7,-12.85,;-11.05,-12.07,;-7.04,-6.69,;-5.71,-5.91,;-8.38,-5.92,;-7.06,-5.14,;-5.69,-13.62,;-7.1,-12.98,;-8.13,-14.13,;-7.35,-15.46,;-7.98,-16.87,;-5.85,-15.14,;-2.79,-15.14,;-4.12,-15.91,)| Show InChI InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250365
(CHEMBL4103344)Show SMILES CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r,wU:4.23,6.6,2.1,13.13,wD:16.20,(20.99,-12.46,;22.31,-13.23,;23.65,-12.46,;23.65,-10.92,;24.98,-10.15,;26.31,-10.92,;26.31,-12.46,;27.64,-13.23,;28.98,-12.46,;24.98,-13.22,;24.98,-14.76,;23.64,-15.53,;26.31,-15.53,;26.31,-17.07,;27.65,-17.84,;27.64,-19.38,;26.3,-20.15,;24.97,-19.37,;24.97,-17.84,;26.3,-21.69,;24.96,-22.46,;27.63,-22.46,;24.98,-8.61,;23.64,-7.83,;23.64,-6.29,;24.98,-5.53,;24.99,-3.99,;23.65,-3.22,;22.31,-4,;22.32,-5.54,;20.98,-3.23,;20.98,-1.69,;19.65,-4.01,;19.64,-2.46,;26.32,-3.22,;27.65,-3.99,;26.32,-1.68,;27.65,-2.45,;26.31,-7.84,;27.65,-8.61,;28.98,-7.84,;28.98,-6.3,;27.64,-5.53,;26.31,-6.3,;30.31,-5.53,;31.63,-6.3,;32.96,-5.54,;32.97,-4,;31.63,-3.22,;30.3,-3.99,)| Show InChI InChI=1S/C34H43F6N5O5/c1-3-25-16-27(17-26(4-2)45(25)32(48)50-29-7-5-22(6-8-29)30(46)47)44(31-41-18-28(19-42-31)43-9-11-49-12-10-43)20-21-13-23(33(35,36)37)15-24(14-21)34(38,39)40/h13-15,18-19,22,25-27,29H,3-12,16-17,20H2,1-2H3,(H,46,47)/t22-,25-,26+,27+,29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250355
(CHEMBL4081265)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C32H35BrF6N4O2/c1-5-25-15-26(16-27(13-20-9-7-6-8-10-20)43(25)29(44)45-30(2,3)4)42(28-40-17-24(33)18-41-28)19-21-11-22(31(34,35)36)14-23(12-21)32(37,38)39/h6-12,14,17-18,25-27H,5,13,15-16,19H2,1-4H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250355
(CHEMBL4081265)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C32H35BrF6N4O2/c1-5-25-15-26(16-27(13-20-9-7-6-8-10-20)43(25)29(44)45-30(2,3)4)42(28-40-17-24(33)18-41-28)19-21-11-22(31(34,35)36)14-23(12-21)32(37,38)39/h6-12,14,17-18,25-27H,5,13,15-16,19H2,1-4H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250364
(CHEMBL4063323)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C36H43F6N5O3/c1-5-28-19-29(20-30(17-24-9-7-6-8-10-24)47(28)33(48)50-34(2,3)4)46(32-43-21-31(22-44-32)45-11-13-49-14-12-45)23-25-15-26(35(37,38)39)18-27(16-25)36(40,41)42/h6-10,15-16,18,21-22,28-30H,5,11-14,17,19-20,23H2,1-4H3/t28-,29+,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250364
(CHEMBL4063323)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C36H43F6N5O3/c1-5-28-19-29(20-30(17-24-9-7-6-8-10-24)47(28)33(48)50-34(2,3)4)46(32-43-21-31(22-44-32)45-11-13-49-14-12-45)23-25-15-26(35(37,38)39)18-27(16-25)36(40,41)42/h6-10,15-16,18,21-22,28-30H,5,11-14,17,19-20,23H2,1-4H3/t28-,29+,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250370
(CHEMBL4083767)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C31H33BrF6N4O2/c1-4-25-14-26(15-27(12-20-8-6-5-7-9-20)42(25)29(43)44-19(2)3)41(28-39-16-24(32)17-40-28)18-21-10-22(30(33,34)35)13-23(11-21)31(36,37)38/h5-11,13,16-17,19,25-27H,4,12,14-15,18H2,1-3H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250357
(CHEMBL4089133)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(Cl)cc(c1)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C31H35BrClF3N4O2/c1-5-25-15-26(16-27(13-20-9-7-6-8-10-20)40(25)29(41)42-30(2,3)4)39(28-37-17-23(32)18-38-28)19-21-11-22(31(34,35)36)14-24(33)12-21/h6-12,14,17-18,25-27H,5,13,15-16,19H2,1-4H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250359
(CHEMBL4074770)Show SMILES CCCC(=O)N1[C@H](CC)C[C@@H](C[C@@H]1Cc1ccccc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C31H33BrF6N4O/c1-3-8-28(43)42-25(4-2)15-26(16-27(42)13-20-9-6-5-7-10-20)41(29-39-17-24(32)18-40-29)19-21-11-22(30(33,34)35)14-23(12-21)31(36,37)38/h5-7,9-12,14,17-18,25-27H,3-4,8,13,15-16,19H2,1-2H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250367
(CHEMBL4064327)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC |r| Show InChI InChI=1S/C30H36F6N2O4/c1-6-23-16-24(17-25(14-19-10-8-7-9-11-19)38(23)27(40)42-28(2,3)4)37(26(39)41-5)18-20-12-21(29(31,32)33)15-22(13-20)30(34,35)36/h7-13,15,23-25H,6,14,16-18H2,1-5H3/t23-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 771 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250354
(CHEMBL4099797)Show SMILES CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC |r| Show InChI InChI=1S/C25H34F6N2O4/c1-7-18-12-20(13-19(8-2)33(18)22(35)37-23(3,4)5)32(21(34)36-6)14-15-9-16(24(26,27)28)11-17(10-15)25(29,30)31/h9-11,18-20H,7-8,12-14H2,1-6H3/t18-,19+,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50092197
(CHEMBL313006 | S-2-(1-(2-ethylbutyl)cyclohexanecar...)Show SMILES CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C Show InChI InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250358
(CHEMBL4060947)Show SMILES CCNC(=O)N1[C@H](CC)C[C@@H](C[C@@H]1Cc1ccccc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C30H32BrF6N5O/c1-3-24-14-25(15-26(42(24)28(43)38-4-2)12-19-8-6-5-7-9-19)41(27-39-16-23(31)17-40-27)18-20-10-21(29(32,33)34)13-22(11-20)30(35,36)37/h5-11,13,16-17,24-26H,3-4,12,14-15,18H2,1-2H3,(H,38,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50250369
(CHEMBL4099285)Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(OC)cc(c1)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C32H38BrF3N4O3/c1-6-25-16-26(17-27(13-21-10-8-7-9-11-21)40(25)30(41)43-31(2,3)4)39(29-37-18-24(33)19-38-29)20-22-12-23(32(34,35)36)15-28(14-22)42-5/h7-12,14-15,18-19,25-27H,6,13,16-17,20H2,1-5H3/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method |
J Med Chem 60: 8466-8481 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ |
More data for this
Ligand-Target Pair | |
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