Found 44 hits of Enzyme Inhibition Constant Data 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)) | 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)) | 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)) | 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)) | 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)) | 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| 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 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50337177
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1cc(ccn1)C(F)(F)F)C#N Show InChI InChI=1S/C30H28F3N5O2/c1-18(2)24-13-20(16-34)14-25-27(24)40-29(37-25)22-5-3-21(4-6-22)28(39)36-17-19-8-11-38(12-9-19)26-15-23(7-10-35-26)30(31,32)33/h3-7,10,13-15,18-19H,8-9,11-12,17H2,1-2H3,(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 | 61 | 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)) | BDBM50337176
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES COc1cccc(n1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C30H31N5O3/c1-19(2)24-15-21(17-31)16-25-28(24)38-30(33-25)23-9-7-22(8-10-23)29(36)32-18-20-11-13-35(14-12-20)26-5-4-6-27(34-26)37-3/h4-10,15-16,19-20H,11-14,18H2,1-3H3,(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 | 110 | 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)) | BDBM50337174
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccccn1)C#N Show InChI InChI=1S/C29H29N5O2/c1-19(2)24-15-21(17-30)16-25-27(24)36-29(33-25)23-8-6-22(7-9-23)28(35)32-18-20-10-13-34(14-11-20)26-5-3-4-12-31-26/h3-9,12,15-16,19-20H,10-11,13-14,18H2,1-2H3,(H,32,35) | 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 | 114 | 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)) | BDBM50337178
(CHEMBL1684855 | methyl 6-(4-((4-(5-cyano-7-isoprop...)Show SMILES COC(=O)c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C31H31N5O4/c1-19(2)25-14-21(16-32)15-26-28(25)40-30(35-26)23-6-4-22(5-7-23)29(37)34-17-20-10-12-36(13-11-20)27-9-8-24(18-33-27)31(38)39-3/h4-9,14-15,18-20H,10-13,17H2,1-3H3,(H,34,37) | 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 | 114 | 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)) | BDBM50337171
(4-(5-cyano-7-(prop-1-en-2-yl)benzo[d]oxazol-2-yl)-...)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/C30H26F3N5O2/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,1,9-12,16H2,2H3,(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 | 131 | 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)) | BDBM50337170
(4-(7-tert-butyl-5-cyanobenzo[d]oxazol-2-yl)-N-((1-...)Show SMILES CC(C)(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)C(F)(F)F)C#N Show InChI InChI=1S/C31H30F3N5O2/c1-30(2,3)24-14-20(16-35)15-25-27(24)41-29(38-25)22-6-4-21(5-7-22)28(40)37-17-19-10-12-39(13-11-19)26-9-8-23(18-36-26)31(32,33)34/h4-9,14-15,18-19H,10-13,17H2,1-3H3,(H,37,40) | 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 | 198 | 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)) | BDBM50337182
(CHEMBL1684859 | N-((1-(5-bromopyridin-2-yl)piperid...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(Br)cn1)C#N Show InChI InChI=1S/C29H28BrN5O2/c1-18(2)24-13-20(15-31)14-25-27(24)37-29(34-25)22-5-3-21(4-6-22)28(36)33-16-19-9-11-35(12-10-19)26-8-7-23(30)17-32-26/h3-8,13-14,17-19H,9-12,16H2,1-2H3,(H,33,36) | 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 | 223 | 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)) | BDBM50337183
(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(C)=C)C#N Show InChI InChI=1S/C32H33N5O2/c1-20(2)26-9-10-29(34-19-26)37-13-11-22(12-14-37)18-35-31(38)24-5-7-25(8-6-24)32-36-28-16-23(17-33)15-27(21(3)4)30(28)39-32/h5-10,15-16,19,21-22H,1,11-14,18H2,2-4H3,(H,35,38) | 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 | 229 | 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)) | BDBM50337168
(4-(5-cyano-7-cyclopropylbenzo[d]oxazol-2-yl)-N-((1...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C4CC4)c3o2)C#N)CC1 Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)23-7-8-26(35-17-23)38-11-9-18(10-12-38)16-36-28(39)21-3-5-22(6-4-21)29-37-25-14-19(15-34)13-24(20-1-2-20)27(25)40-29/h3-8,13-14,17-18,20H,1-2,9-12,16H2,(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 | 243 | 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)) | BDBM50337166
(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)-N-((1-(4-(...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C29H25F3N4O2/c1-18-14-20(16-33)15-25-26(18)38-28(35-25)22-4-2-21(3-5-22)27(37)34-17-19-10-12-36(13-11-19)24-8-6-23(7-9-24)29(30,31)32/h2-9,14-15,19H,10-13,17H2,1H3,(H,34,37) | 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 | 300 | 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)) | BDBM50337179
(CHEMBL1684856 | methyl 6-(4-((4-(5-cyano-7-isoprop...)Show SMILES COC(=O)c1cccc(n1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C31H31N5O4/c1-19(2)24-15-21(17-32)16-26-28(24)40-30(35-26)23-9-7-22(8-10-23)29(37)33-18-20-11-13-36(14-12-20)27-6-4-5-25(34-27)31(38)39-3/h4-10,15-16,19-20H,11-14,18H2,1-3H3,(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 | 306 | 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)) | BDBM50337191
(CHEMBL1684868 | N-((1-(5-(2-(benzyloxy)-5-(trifluo...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1cc(ccc1OCc1ccccc1)C(F)(F)F)C#N Show InChI InChI=1S/C43H38F3N5O3/c1-27(2)35-20-30(23-47)21-37-40(35)54-42(50-37)32-10-8-31(9-11-32)41(52)49-24-28-16-18-51(19-17-28)39-15-12-33(25-48-39)36-22-34(43(44,45)46)13-14-38(36)53-26-29-6-4-3-5-7-29/h3-15,20-22,25,27-28H,16-19,24,26H2,1-2H3,(H,49,52) | 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 | 413 | 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)) | BDBM50337161
(2-(4-(2-hydroxy-3-(4-(4-(trifluoromethyl)phenyl)pi...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(CC(O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C29H27F3N4O2/c1-19-14-21(17-33)16-26-27(19)38-28(34-26)22-4-2-20(3-5-22)15-25(37)18-35-10-12-36(13-11-35)24-8-6-23(7-9-24)29(30,31)32/h2-9,14,16,25,37H,10-13,15,18H2,1H3 | 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 | 874 | 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)) | BDBM50337154
(7-methyl-2-(4-(3-(4-(4-(trifluoromethyl)phenyl)pip...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(CCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C29H27F3N4O/c1-20-17-22(19-33)18-26-27(20)37-28(34-26)23-6-4-21(5-7-23)3-2-12-35-13-15-36(16-14-35)25-10-8-24(9-11-25)29(30,31)32/h4-11,17-18H,2-3,12-16H2,1H3 | 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 | 975 | 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)) | BDBM50337156
(7-methyl-2-(4-(3-(4-(4-(trifluoromethyl)phenyl)pip...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C29H25F3N4O2/c1-19-16-20(18-33)17-25-27(19)38-28(34-25)22-4-2-21(3-5-22)26(37)10-11-35-12-14-36(15-13-35)24-8-6-23(7-9-24)29(30,31)32/h2-9,16-17H,10-15H2,1H3 | 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 | 2.05E+3 | 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)) | BDBM50337155
(7-methyl-2-(4-(3-(4-(4-(trifluoromethyl)phenyl)pip...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C#CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C29H23F3N4O/c1-20-17-22(19-33)18-26-27(20)37-28(34-26)23-6-4-21(5-7-23)3-2-12-35-13-15-36(16-14-35)25-10-8-24(9-11-25)29(30,31)32/h4-11,17-18H,12-16H2,1H3 | 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 | 2.17E+3 | 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)) | BDBM50337160
(2-(4-(1-hydroxy-3-(4-(4-(trifluoromethyl)phenyl)pi...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C(O)CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C29H27F3N4O2/c1-19-16-20(18-33)17-25-27(19)38-28(34-25)22-4-2-21(3-5-22)26(37)10-11-35-12-14-36(15-13-35)24-8-6-23(7-9-24)29(30,31)32/h2-9,16-17,26,37H,10-15H2,1H3 | 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 | 2.25E+3 | 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)) | BDBM50337167
(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)-N-methyl-N...)Show SMILES CN(CC1CCN(CC1)c1ccc(cc1)C(F)(F)F)C(=O)c1ccc(cc1)-c1nc2cc(cc(C)c2o1)C#N Show InChI InChI=1S/C30H27F3N4O2/c1-19-15-21(17-34)16-26-27(19)39-28(35-26)22-3-5-23(6-4-22)29(38)36(2)18-20-11-13-37(14-12-20)25-9-7-24(8-10-25)30(31,32)33/h3-10,15-16,20H,11-14,18H2,1-2H3 | 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 | 2.61E+3 | 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)) | BDBM50337164
(7-methyl-2-(4-(2-oxo-3-(4-(4-(trifluoromethyl)phen...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)N1CCC(N2CCN(CC2)c2ccc(cc2)C(F)(F)F)C1=O)C#N Show InChI InChI=1S/C30H26F3N5O2/c1-19-16-20(18-34)17-25-27(19)40-28(35-25)21-2-6-24(7-3-21)38-11-10-26(29(38)39)37-14-12-36(13-15-37)23-8-4-22(5-9-23)30(31,32)33/h2-9,16-17,26H,10-15H2,1H3 | 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 | 2.74E+3 | 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)) | BDBM50337169
(4-(5-cyano-7-(trifluoromethyl)benzo[d]oxazol-2-yl)...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(c3o2)C(F)(F)F)C#N)CC1 Show InChI InChI=1S/C28H21F6N5O2/c29-27(30,31)20-5-6-23(36-15-20)39-9-7-16(8-10-39)14-37-25(40)18-1-3-19(4-2-18)26-38-22-12-17(13-35)11-21(24(22)41-26)28(32,33)34/h1-6,11-12,15-16H,7-10,14H2,(H,37,40) | 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 | 3.19E+3 | 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)) | BDBM50337158
(7-methyl-2-(4-(4-(4-(trifluoromethyl)phenyl)pipera...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C27H21F3N4O2/c1-17-14-18(16-31)15-23-24(17)36-25(32-23)19-2-4-20(5-3-19)26(35)34-12-10-33(11-13-34)22-8-6-21(7-9-22)27(28,29)30/h2-9,14-15H,10-13H2,1H3 | 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 | 4.03E+3 | 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)) | BDBM50337159
(7-methyl-2-(4-((4-(4-(trifluoromethyl)phenyl)piper...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(OCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C27H23F3N4O2/c1-18-14-19(16-31)15-24-25(18)36-26(32-24)20-2-8-23(9-3-20)35-17-33-10-12-34(13-11-33)22-6-4-21(5-7-22)27(28,29)30/h2-9,14-15H,10-13,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.55E+3 | 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)) | BDBM50337157
(7-methyl-2-(4-(2-oxo-3-(4-(4-(trifluoromethyl)phen...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(CC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C29H25F3N4O2/c1-19-14-21(17-33)16-26-27(19)38-28(34-26)22-4-2-20(3-5-22)15-25(37)18-35-10-12-36(13-11-35)24-8-6-23(7-9-24)29(30,31)32/h2-9,14,16H,10-13,15,18H2,1H3 | 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 | 5.74E+3 | 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)) | BDBM50337162
(2-(4-(2-methoxy-3-(4-(4-(trifluoromethyl)phenyl)pi...)Show SMILES COC(CN1CCN(CC1)c1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)-c1nc2cc(cc(C)c2o1)C#N Show InChI InChI=1S/C30H29F3N4O2/c1-20-15-22(18-34)17-27-28(20)39-29(35-27)23-5-3-21(4-6-23)16-26(38-2)19-36-11-13-37(14-12-36)25-9-7-24(8-10-25)30(31,32)33/h3-10,15,17,26H,11-14,16,19H2,1-2H3 | 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 | 8.94E+3 | 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)) | BDBM50337180
(6-(4-((4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)b...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1cccc(n1)C(O)=O)C#N Show InChI InChI=1S/C30H29N5O4/c1-18(2)23-14-20(16-31)15-25-27(23)39-29(34-25)22-8-6-21(7-9-22)28(36)32-17-19-10-12-35(13-11-19)26-5-3-4-24(33-26)30(37)38/h3-9,14-15,18-19H,10-13,17H2,1-2H3,(H,32,36)(H,37,38) | 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 | >1.00E+4 | 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)) | BDBM50337181
(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)[N+]([O-])=O)C#N Show InChI InChI=1S/C29H28N6O4/c1-18(2)24-13-20(15-30)14-25-27(24)39-29(33-25)22-5-3-21(4-6-22)28(36)32-16-19-9-11-34(12-10-19)26-8-7-23(17-31-26)35(37)38/h3-8,13-14,17-19H,9-12,16H2,1-2H3,(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 | >1.00E+4 | 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)) | BDBM50337165
(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)-N-(2-(1-(4...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCCC1CCN(CC1)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C30H27F3N4O2/c1-19-16-21(18-34)17-26-27(19)39-29(36-26)23-4-2-22(3-5-23)28(38)35-13-10-20-11-14-37(15-12-20)25-8-6-24(7-9-25)30(31,32)33/h2-9,16-17,20H,10-15H2,1H3,(H,35,38) | 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 | 1.16E+4 | 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)) | BDBM50337163
(2-(4-(2-hydroxy-3-(4-(4-(trifluoromethyl)phenyl)pi...)Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NCC(O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1)C#N Show InChI InChI=1S/C29H28F3N5O2/c1-19-14-20(16-33)15-26-27(19)39-28(35-26)21-2-6-23(7-3-21)34-17-25(38)18-36-10-12-37(13-11-36)24-8-4-22(5-9-24)29(30,31)32/h2-9,14-15,25,34,38H,10-13,17-18H2,1H3 | 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 | 1.88E+4 | 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 | |
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