Found 254 hits with Last Name = 'cumiskey' and Initial = 'am' 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)) | BDBM50169211
(CHEMBL3805284)Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C27H22F10N2O3/c28-24(29)26(33,34)41-19-8-4-6-17(12-19)22-14-38(13-16-5-3-7-18(11-16)42-27(35,36)37)20-9-1-2-10-21(20)39(22)15-23(40)25(30,31)32/h1-12,22-24,40H,13-15H2/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP in 95% human serum assessed as suppression of transfer of [3H]-cholesterol oleate/[3H]-triolein from LDL to HDL after 1 hr by liqu... |
ACS Med Chem Lett 7: 261-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00404
BindingDB Entry DOI: 10.7270/Q2X92D7Z |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334828
(CHEMBL1643160 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C28H24F3N5O2/c1-18-13-19(16-32)14-24-26(18)38-27(34-24)20-5-7-22(8-6-20)33-25(37)17-35-9-11-36(12-10-35)23-4-2-3-21(15-23)28(29,30)31/h2-8,13-15H,9-12,17H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337153
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337153
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334828
(CHEMBL1643160 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C28H24F3N5O2/c1-18-13-19(16-32)14-24-26(18)38-27(34-24)20-5-7-22(8-6-20)33-25(37)17-35-9-11-36(12-10-35)23-4-2-3-21(15-23)28(29,30)31/h2-8,13-15H,9-12,17H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337152
(CHEMBL1682747 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C27H23F3N6O2/c1-17-12-18(14-31)13-22-25(17)38-26(34-22)19-2-5-21(6-3-19)33-24(37)16-35-8-10-36(11-9-35)23-7-4-20(15-32-23)27(28,29)30/h2-7,12-13,15H,8-11,16H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50348226
(CHEMBL1800622)Show SMILES COc1ccc(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/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay |
J Med Chem 54: 4880-95 (2011)
Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334829
(CHEMBL1643161 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C28H24F3N5O2/c1-18-14-19(16-32)15-24-26(18)38-27(34-24)20-2-6-22(7-3-20)33-25(37)17-35-10-12-36(13-11-35)23-8-4-21(5-9-23)28(29,30)31/h2-9,14-15H,10-13,17H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334829
(CHEMBL1643161 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C28H24F3N5O2/c1-18-14-19(16-32)15-24-26(18)38-27(34-24)20-2-6-22(7-3-20)33-25(37)17-35-10-12-36(13-11-35)23-8-4-21(5-9-23)28(29,30)31/h2-9,14-15H,10-13,17H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552194
(CHEMBL4797108)Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](NC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
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 | 17.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay |
J Med Chem 54: 4880-95 (2011)
Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50348230
(CHEMBL1800810)Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1(C)C)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C31H27F10NO3/c1-15(2)22-12-23(25(44-5)13-24(22)32)21-7-6-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42,3)4)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h6-13,15,26H,14H2,1-5H3/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay |
J Med Chem 54: 4880-95 (2011)
Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552195
(CHEMBL4781837)Show SMILES COc1ccc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](NC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342850
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334829
(CHEMBL1643161 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C28H24F3N5O2/c1-18-14-19(16-32)15-24-26(18)38-27(34-24)20-2-6-22(7-3-20)33-25(37)17-35-10-12-36(13-11-35)23-8-4-21(5-9-23)28(29,30)31/h2-9,14-15H,10-13,17H2,1H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337194
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1ccccc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H39N5O2/c1-24(2)31-7-5-6-8-32(31)30-13-14-35(40-23-30)43-17-15-26(16-18-43)22-41-37(44)28-9-11-29(12-10-28)38-42-34-20-27(21-39)19-33(25(3)4)36(34)45-38/h5-14,19-20,23-26H,15-18,22H2,1-4H3,(H,41,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334825
(2-(4-(3-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1)C#N Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-19(16-29)14-24-26(18)35-27(31-24)20-5-7-22(8-6-20)30-25(34)17-32-9-11-33(12-10-32)23-4-2-3-21(28)15-23/h2-8,13-15H,9-12,17H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50169216
(CHEMBL3805336)Show SMILES C[C@@H](N1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H23F9N2O/c1-16(17-6-4-8-19(12-17)25(28,29)30)37-14-23(18-7-5-9-20(13-18)26(31,32)33)38(15-24(39)27(34,35)36)22-11-3-2-10-21(22)37/h2-13,16,23-24,39H,14-15H2,1H3/t16-,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP in 95% human serum assessed as suppression of transfer of [3H]-cholesterol oleate/[3H]-triolein from LDL to HDL after 1 hr by liqu... |
ACS Med Chem Lett 7: 261-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00404
BindingDB Entry DOI: 10.7270/Q2X92D7Z |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337173
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1nccc(n1)C(F)(F)F)C#N Show InChI InChI=1S/C29H27F3N6O2/c1-17(2)22-13-19(15-33)14-23-25(22)40-27(36-23)21-5-3-20(4-6-21)26(39)35-16-18-8-11-38(12-9-18)28-34-10-7-24(37-28)29(30,31)32/h3-7,10,13-14,17-18H,8-9,11-12,16H2,1-2H3,(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342849
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337189
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(C)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C39H41N5O3/c1-24(2)32-19-28(21-40)20-34-37(32)47-39(43-34)30-9-7-29(8-10-30)38(45)42-22-27-14-16-44(17-15-27)36-13-11-31(23-41-36)33-18-26(5)6-12-35(33)46-25(3)4/h6-13,18-20,23-25,27H,14-17,22H2,1-5H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337188
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES COc1cc(F)c(cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1)C(C)C Show InChI InChI=1S/C39H40FN5O3/c1-23(2)30-18-32(35(47-5)19-33(30)40)29-10-11-36(42-22-29)45-14-12-25(13-15-45)21-43-38(46)27-6-8-28(9-7-27)39-44-34-17-26(20-41)16-31(24(3)4)37(34)48-39/h6-11,16-19,22-25H,12-15,21H2,1-5H3,(H,43,46) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50348229
(CHEMBL1800808)Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C[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/C29H23F10NO3/c1-14(2)21-10-22(24(42-3)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-13-25(43-26(40)41)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39/h4-11,14,25H,12-13H2,1-3H3/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PubMed
| n/a | n/a | 25.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay |
J Med Chem 54: 4880-95 (2011)
Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337190
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1)C(F)(F)F Show InChI InChI=1S/C39H38F3N5O3/c1-23(2)31-17-26(20-43)18-33-36(31)50-38(46-33)28-7-5-27(6-8-28)37(48)45-21-25-13-15-47(16-14-25)35-12-9-29(22-44-35)32-19-30(39(40,41)42)10-11-34(32)49-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,45,48) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552196
(CHEMBL4755391)Show SMILES COc1ncc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](N(C)C1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
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| Article
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337192
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccccc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H39N5O3/c1-24(2)32-19-27(21-39)20-33-36(32)46-38(42-33)29-11-9-28(10-12-29)37(44)41-22-26-15-17-43(18-16-26)35-14-13-30(23-40-35)31-7-5-6-8-34(31)45-25(3)4/h5-14,19-20,23-26H,15-18,22H2,1-4H3,(H,41,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334825
(2-(4-(3-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1)C#N Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-19(16-29)14-24-26(18)35-27(31-24)20-5-7-22(8-6-20)30-25(34)17-32-9-11-33(12-10-32)23-4-2-3-21(28)15-23/h2-8,13-15H,9-12,17H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337193
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)COc1ccccc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C39H41N5O3/c1-25(2)24-46-35-8-6-5-7-32(35)31-13-14-36(41-23-31)44-17-15-27(16-18-44)22-42-38(45)29-9-11-30(12-10-29)39-43-34-20-28(21-40)19-33(26(3)4)37(34)47-39/h5-14,19-20,23,25-27H,15-18,22,24H2,1-4H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334815
(2-(1-(benzylsulfonyl)piperidin-4-yloxy)-N-(4-(5-cy...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)COC2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1)C#N Show InChI InChI=1S/C29H28N4O5S/c1-20-15-22(17-30)16-26-28(20)38-29(32-26)23-7-9-24(10-8-23)31-27(34)18-37-25-11-13-33(14-12-25)39(35,36)19-21-5-3-2-4-6-21/h2-10,15-16,25H,11-14,18-19H2,1H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552193
(CHEMBL4763753)Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](NC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342838
(CHEMBL1771123 | cis-N-((4-(4-tert-butylphenyl)cycl...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,25.31,(-7.37,5.12,;-8.14,3.79,;-9.68,3.79,;-7.37,2.45,;-8.14,1.12,;-7.37,-.22,;-5.83,-.21,;-5.07,1.12,;-3.56,1.44,;-3.41,2.97,;-4.81,3.6,;-5.84,2.45,;-2.07,3.74,;-.74,2.97,;.6,3.74,;.59,5.29,;-.74,6.05,;-2.07,5.28,;1.92,6.06,;1.92,7.61,;3.26,5.3,;3.27,3.76,;4.6,2.99,;5.92,3.77,;7.26,3,;7.26,1.46,;5.93,.69,;4.6,1.45,;8.6,.69,;8.59,-.85,;9.92,-1.62,;11.26,-.85,;11.25,.7,;9.92,1.46,;12.59,-1.62,;12.59,-3.16,;13.92,-.85,;13.91,-2.39,;-8.13,-1.56,;-8.89,-2.89,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337175
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1cccc(n1)C(F)(F)F)C#N Show InChI InChI=1S/C30H28F3N5O2/c1-18(2)23-14-20(16-34)15-24-27(23)40-29(36-24)22-8-6-21(7-9-22)28(39)35-17-19-10-12-38(13-11-19)26-5-3-4-25(37-26)30(31,32)33/h3-9,14-15,18-19H,10-13,17H2,1-2H3,(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342837
(CHEMBL1771124 | trans-N-((4-(4-tert-butylphenyl)cy...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,wD:25.31,(19.49,4.45,;18.72,3.12,;17.18,3.12,;19.49,1.79,;18.72,.45,;19.5,-.88,;21.03,-.88,;21.8,.45,;23.3,.77,;23.46,2.3,;22.06,2.93,;21.03,1.78,;24.79,3.07,;26.13,2.3,;27.46,3.07,;27.46,4.62,;26.12,5.38,;24.79,4.61,;28.79,5.39,;28.78,6.93,;30.12,4.63,;30.13,3.09,;31.47,2.32,;32.79,3.1,;34.12,2.33,;34.13,.79,;32.79,.02,;31.46,.78,;35.46,.02,;35.45,-1.52,;36.79,-2.29,;38.12,-1.52,;38.12,.03,;36.78,.79,;39.46,-2.29,;39.46,-3.83,;40.79,-1.51,;40.78,-3.06,;18.74,-2.23,;17.97,-3.56,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552192
(CHEMBL4756571)Show SMILES COc1ncc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](NC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337186
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1cccc(C)c1)C#N Show InChI InChI=1S/C36H35N5O2/c1-23(2)31-18-26(20-37)19-32-34(31)43-36(40-32)28-9-7-27(8-10-28)35(42)39-21-25-13-15-41(16-14-25)33-12-11-30(22-38-33)29-6-4-5-24(3)17-29/h4-12,17-19,22-23,25H,13-16,21H2,1-3H3,(H,39,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50348223
(CHEMBL1800802)Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1ccccc1)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C28H28F3NO3/c1-17(2)20-10-13-25(34-4)24(15-20)23-12-11-22(28(29,30)31)14-21(23)16-32-18(3)26(35-27(32)33)19-8-6-5-7-9-19/h5-15,17-18,26H,16H2,1-4H3/t18-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay |
J Med Chem 54: 4880-95 (2011)
Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334832
(CHEMBL1643164 | ethyl 4-(4-(2-(4-(5-cyano-7-methyl...)Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1 Show InChI InChI=1S/C30H29N5O4/c1-3-38-30(37)23-6-10-25(11-7-23)35-14-12-34(13-15-35)19-27(36)32-24-8-4-22(5-9-24)29-33-26-17-21(18-31)16-20(2)28(26)39-29/h4-11,16-17H,3,12-15,19H2,1-2H3,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342835
(CHEMBL1771126 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.13,-4.03,;19.36,-5.36,;17.82,-5.36,;20.13,-6.69,;19.36,-8.03,;20.14,-9.36,;21.67,-9.36,;22.43,-8.03,;23.94,-7.71,;24.09,-6.18,;22.7,-5.55,;21.67,-6.69,;25.43,-5.41,;26.76,-6.18,;28.1,-5.41,;28.09,-3.86,;26.76,-3.09,;25.43,-3.87,;29.43,-3.08,;29.42,-1.54,;30.76,-3.85,;30.77,-5.39,;32.1,-6.15,;33.43,-5.38,;34.76,-6.15,;34.76,-7.69,;33.43,-8.46,;32.1,-7.69,;36.1,-8.46,;36.09,-10,;37.42,-10.77,;38.76,-10,;38.75,-8.45,;37.42,-7.69,;40.09,-10.76,;40.1,-12.3,;41.43,-9.99,;41.42,-11.53,;19.37,-10.7,;18.61,-12.04,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-15-21(17-36)16-28-29(27)40-31(38-28)25-9-7-24(8-10-25)30(39)37-18-20-3-5-22(6-4-20)23-11-13-26(14-12-23)32(33,34)35/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,37,39)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337172
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)C(F)(F)F)C#N Show InChI InChI=1S/C30H28F3N5O2/c1-18(2)24-13-20(15-34)14-25-27(24)40-29(37-25)22-5-3-21(4-6-22)28(39)36-16-19-9-11-38(12-10-19)26-8-7-23(17-35-26)30(31,32)33/h3-8,13-14,17-19H,9-12,16H2,1-2H3,(H,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337184
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1ccccc1)C#N Show InChI InChI=1S/C35H33N5O2/c1-23(2)30-18-25(20-36)19-31-33(30)42-35(39-31)28-10-8-27(9-11-28)34(41)38-21-24-14-16-40(17-15-24)32-13-12-29(22-37-32)26-6-4-3-5-7-26/h3-13,18-19,22-24H,14-17,21H2,1-2H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342847
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337187
(CHEMBL1684864 | N-((1-(5-(2-chloro-6-methoxyphenyl...)Show SMILES COc1cccc(Cl)c1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C36H34ClN5O3/c1-22(2)28-17-24(19-38)18-30-34(28)45-36(41-30)26-9-7-25(8-10-26)35(43)40-20-23-13-15-42(16-14-23)32-12-11-27(21-39-32)33-29(37)5-4-6-31(33)44-3/h4-12,17-18,21-23H,13-16,20H2,1-3H3,(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337185
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1ccc(C)cc1)C#N Show InChI InChI=1S/C36H35N5O2/c1-23(2)31-18-26(20-37)19-32-34(31)43-36(40-32)29-10-8-28(9-11-29)35(42)39-21-25-14-16-41(17-15-25)33-13-12-30(22-38-33)27-6-4-24(3)5-7-27/h4-13,18-19,22-23,25H,14-17,21H2,1-3H3,(H,39,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 1890-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334820
(CHEMBL1643153 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1)C#N Show InChI InChI=1S/C27H25N5O2/c1-19-15-20(17-28)16-24-26(19)34-27(30-24)21-7-9-22(10-8-21)29-25(33)18-31-11-13-32(14-12-31)23-5-3-2-4-6-23/h2-10,15-16H,11-14,18H2,1H3,(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334830
(CHEMBL1643162 | methyl 3-(4-(2-(4-(5-cyano-7-methy...)Show SMILES COC(=O)c1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1 Show InChI InChI=1S/C29H27N5O4/c1-19-14-20(17-30)15-25-27(19)38-28(32-25)21-6-8-23(9-7-21)31-26(35)18-33-10-12-34(13-11-33)24-5-3-4-22(16-24)29(36)37-2/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334826
(2-(4-(4-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1)C#N Show InChI InChI=1S/C27H24ClN5O2/c1-18-14-19(16-29)15-24-26(18)35-27(31-24)20-2-6-22(7-3-20)30-25(34)17-32-10-12-33(13-11-32)23-8-4-21(28)5-9-23/h2-9,14-15H,10-13,17H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CETP in 95% human serum assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between LDL and HDL |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50552201
(CHEMBL4764014)Show SMILES [H][C@@]12CC[C@H](N1C(=O)N[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(cnc1OC)-c1c(C)cc(cc1C)C(=O)NC1(CC1)C#N)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127668
BindingDB Entry DOI: 10.7270/Q2JM2F8H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50337153
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50334822
(CHEMBL1641618 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1 Show InChI InChI=1S/C28H27N5O3/c1-19-14-20(17-29)15-25-27(19)36-28(31-25)21-6-8-22(9-7-21)30-26(34)18-32-10-12-33(13-11-32)23-4-3-5-24(16-23)35-2/h3-9,14-16H,10-13,18H2,1-2H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay |
Bioorg Med Chem Lett 21: 558-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1 |
More data for this
Ligand-Target Pair | |
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