Found 350 hits with Last Name = 'anderson' and Initial = 'ms' 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)) | 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)) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated BODIPY-labeled cholesteryl ester transfer after 45 mins by FRET analysis |
ACS Med Chem Lett 2: 424-427 (2011)
Article DOI: 10.1021/ml100309n
BindingDB Entry DOI: 10.7270/Q2125T47 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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)) | BDBM50360871
(CHEMBL1935001)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)[N+]([O-])=O)C(C)C |r| Show InChI InChI=1S/C29H25F7N2O5/c1-14(2)22-11-23(25(42-4)12-24(22)30)21-6-5-20(38(40)41)9-17(21)13-37-15(3)26(43-27(37)39)16-7-18(28(31,32)33)10-19(8-16)29(34,35)36/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 13.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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 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)) | 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)) | BDBM50360876
(CHEMBL1935006)Show SMILES COc1cc(F)c(cc1-c1ccc(SC)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H28F7NO3S/c1-15(2)23-12-24(26(40-4)13-25(23)31)22-7-6-21(42-5)10-18(22)14-38-16(3)27(41-28(38)39)17-8-19(29(32,33)34)11-20(9-17)30(35,36)37/h6-13,15-16,27H,14H2,1-5H3/t16-,27-/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 | 16.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360867
(CHEMBL1934997)Show SMILES COc1cc(F)c(cc1-c1ccc(Cl)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C29H25ClF7NO3/c1-14(2)22-11-23(25(40-4)12-24(22)31)21-6-5-20(30)9-17(21)13-38-15(3)26(41-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360873
(CHEMBL1935003)Show SMILES COc1cc(F)c(cc1-c1ccc(C)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H28F7NO3/c1-15(2)23-12-24(26(40-5)13-25(23)31)22-7-6-16(3)8-19(22)14-38-17(4)27(41-28(38)39)18-9-20(29(32,33)34)11-21(10-18)30(35,36)37/h6-13,15,17,27H,14H2,1-5H3/t17-,27-/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 | 16.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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)) | 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 Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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)) | BDBM50360881
(CHEMBL1935011)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(C)(C)F)C(C)C |r| Show InChI InChI=1S/C32H31F8NO3/c1-16(2)24-13-25(27(43-6)14-26(24)33)23-8-7-20(30(4,5)34)11-19(23)15-41-17(3)28(44-29(41)42)18-9-21(31(35,36)37)12-22(10-18)32(38,39)40/h7-14,16-17,28H,15H2,1-6H3/t17-,28-/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 Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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)) | 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)) | 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)) | BDBM50360879
(CHEMBL1935009)Show SMILES COc1cc(F)c(cc1-c1ccc(SC(F)(F)F)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H25F10NO3S/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-20(45-30(38,39)40)9-17(21)13-41-15(3)26(44-27(41)42)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 19.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360868
(CHEMBL1934998)Show SMILES COc1cc(F)c(cc1-c1ccc(Br)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C29H25BrF7NO3/c1-14(2)22-11-23(25(40-4)12-24(22)31)21-6-5-20(30)9-17(21)13-38-15(3)26(41-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50074943
(2-(3-Benzyloxy-4-methoxy-5-propyl-phenyl)-4,5-dihy...)Show SMILES CCCc1cc(cc(OCc2ccccc2)c1OC)C1=NC(CO1)C(=O)NO |t:21| Show InChI InChI=1S/C21H24N2O5/c1-3-7-15-10-16(21-22-17(13-28-21)20(24)23-25)11-18(19(15)26-2)27-12-14-8-5-4-6-9-14/h4-6,8-11,17,25H,3,7,12-13H2,1-2H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in E. coli strain JB 1104 |
Bioorg Med Chem Lett 9: 313-8 (1999)
BindingDB Entry DOI: 10.7270/Q2CJ8CNN |
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)) | 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
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: 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
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)) | BDBM50360870
(CHEMBL1935000)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#N)C(C)C |r| Show InChI InChI=1S/C30H25F7N2O3/c1-15(2)23-11-24(26(41-4)12-25(23)31)22-6-5-17(13-38)7-19(22)14-39-16(3)27(42-28(39)40)18-8-20(29(32,33)34)10-21(9-18)30(35,36)37/h5-12,15-16,27H,14H2,1-4H3/t16-,27-/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 | 23.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360869
(CHEMBL1934999)Show SMILES COc1cc(F)c(cc1-c1ccc(I)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C29H25F7INO3/c1-14(2)22-11-23(25(40-4)12-24(22)30)21-6-5-20(37)9-17(21)13-38-15(3)26(41-27(38)39)16-7-18(28(31,32)33)10-19(8-16)29(34,35)36/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 23.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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)) | BDBM50360883
(CHEMBL1935013)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)C1CC1)C(C)C |r| Show InChI InChI=1S/C32H30F7NO3/c1-16(2)25-13-26(28(42-4)14-27(25)33)24-8-7-19(18-5-6-18)9-21(24)15-40-17(3)29(43-30(40)41)20-10-22(31(34,35)36)12-23(11-20)32(37,38)39/h7-14,16-18,29H,5-6,15H2,1-4H3/t17-,29-/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 | 24.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360875
(CHEMBL1935005)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(C)(C)C)C(C)C |r| Show InChI InChI=1S/C33H34F7NO3/c1-17(2)25-14-26(28(43-7)15-27(25)34)24-9-8-21(31(4,5)6)12-20(24)16-41-18(3)29(44-30(41)42)19-10-22(32(35,36)37)13-23(11-19)33(38,39)40/h8-15,17-18,29H,16H2,1-7H3/t18-,29-/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 | 24.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360866
(CHEMBL1934996)Show SMILES COc1cc(F)c(cc1-c1ccc(F)cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C29H25F8NO3/c1-14(2)22-11-23(25(40-4)12-24(22)31)21-6-5-20(30)9-17(21)13-38-15(3)26(41-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)) | BDBM50360887
(CHEMBL1935099)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)S(=O)(=O)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H25F10NO5S/c1-14(2)22-11-23(25(45-4)12-24(22)31)21-6-5-20(47(43,44)30(38,39)40)9-17(21)13-41-15(3)26(46-27(41)42)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,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 | 27.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Choline/ethanolaminephosphotransferase 1
(Homo sapiens) | BDBM50309658
(CHEMBL593709 | N-(4-(5-cyano-7-(2-hydroxypropan-2-...)Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(c2o1)C(C)(C)O)C#N Show InChI InChI=1S/C26H23N3O4/c1-16-6-4-5-7-22(16)32-15-23(30)28-19-10-8-18(9-11-19)25-29-21-13-17(14-27)12-20(24(21)33-25)26(2,3)31/h4-13,31H,15H2,1-3H3,(H,28,30) | PDB
UniProtKB/SwissProt
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 human CEPT assessed as cholesteryl ester transfer by fluorescence transfer assay |
Bioorg Med Chem Lett 20: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.099
BindingDB Entry DOI: 10.7270/Q2FJ2KKK |
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)) | BDBM50309658
(CHEMBL593709 | N-(4-(5-cyano-7-(2-hydroxypropan-2-...)Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(c2o1)C(C)(C)O)C#N Show InChI InChI=1S/C26H23N3O4/c1-16-6-4-5-7-22(16)32-15-23(30)28-19-10-8-18(9-11-19)25-29-21-13-17(14-27)12-20(24(21)33-25)26(2,3)31/h4-13,31H,15H2,1-3H3,(H,28,30) | 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 assessed as cholesteryl ester transfer activity |
Bioorg Med Chem Lett 20: 1019-22 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.046
BindingDB Entry DOI: 10.7270/Q2MW2H8Q |
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)) | 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 | 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 | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50074960
((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...)Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in E. coli strain JB 1104 |
Bioorg Med Chem Lett 9: 313-8 (1999)
BindingDB Entry DOI: 10.7270/Q2CJ8CNN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Choline/ethanolaminephosphotransferase 1
(Homo sapiens) | BDBM50481330
(CHEMBL596491)Show SMILES CCC(C)(O)c1cc(cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1)C#N Show InChI InChI=1S/C27H25N3O4/c1-4-27(3,32)21-13-18(15-28)14-22-25(21)34-26(30-22)19-9-11-20(12-10-19)29-24(31)16-33-23-8-6-5-7-17(23)2/h5-14,32H,4,16H2,1-3H3,(H,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 CEPT assessed as cholesteryl ester transfer by fluorescence transfer assay |
Bioorg Med Chem Lett 20: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.099
BindingDB Entry DOI: 10.7270/Q2FJ2KKK |
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)) | 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
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 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)) | BDBM50360865
(CHEMBL1934995)Show SMILES COc1cc(F)c(cc1-c1ccccc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C29H26F7NO3/c1-15(2)22-12-23(25(39-4)13-24(22)30)21-8-6-5-7-17(21)14-37-16(3)26(40-27(37)38)18-9-19(28(31,32)33)11-20(10-18)29(34,35)36/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
Similars
| Article
PubMed
| n/a | n/a | 31.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50360884
(CHEMBL1935014)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)S(C)(=O)=O)C(C)C |r| Show InChI InChI=1S/C30H28F7NO5S/c1-15(2)23-12-24(26(42-4)13-25(23)31)22-7-6-21(44(5,40)41)10-18(22)14-38-16(3)27(43-28(38)39)17-8-19(29(32,33)34)11-20(9-17)30(35,36)37/h6-13,15-16,27H,14H2,1-5H3/t16-,27-/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 | 33.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis |
Bioorg Med Chem Lett 22: 199-203 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.039
BindingDB Entry DOI: 10.7270/Q29G5N74 |
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
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: 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
GoogleScholar
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)) | 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 | |
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