BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 28 hits from Bayer Healthcare Pharma Research   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169282
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 9...)
Show SMILES CCc1c(C)c(Cl)c2OC(=O)c3c(Oc2c1OC(=O)C1(C)C2CCC1CC2)ccc([C@@H](O)CC(C)(C)C)c3OC
Show InChI InChI=1S/C32H39ClO7/c1-8-19-16(2)24(33)27-28(26(19)40-30(36)32(6)17-9-10-18(32)12-11-17)38-22-14-13-20(21(34)15-31(3,4)5)25(37-7)23(22)29(35)39-27/h13-14,17-18,21,34H,8-12,15H2,1-7H3/t17?,18?,21-,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169273
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 9...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)c(C)c(C)c(Cl)c3OC(=O)c12)[C@@H](O)CC(C)(C)C
Show InChI InChI=1S/C31H37ClO7/c1-15-16(2)24(39-29(35)31(6)17-8-9-18(31)11-10-17)27-26(23(15)32)38-28(34)22-21(37-27)13-12-19(25(22)36-7)20(33)14-30(3,4)5/h12-13,17-18,20,33H,8-11,14H2,1-7H3/t17?,18?,20-,31?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169296
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 9...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)c(C)c(C)c(Cl)c3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H35ClO7/c1-14(2)13-20(32)19-11-12-21-22(25(19)35-6)28(33)37-26-23(31)15(3)16(4)24(27(26)36-21)38-29(34)30(5)17-7-8-18(30)10-9-17/h11-12,14,17-18,20,32H,7-10,13H2,1-6H3/t17?,18?,20-,30?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169276
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 7...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)c(Br)c(C)c(Cl)c3OC(=O)c12)[C@@H](O)CC(C)(C)C
Show InChI InChI=1S/C30H34BrClO7/c1-14-21(31)24(39-28(35)30(5)15-7-8-16(30)10-9-15)26-25(22(14)32)38-27(34)20-19(37-26)12-11-17(23(20)36-6)18(33)13-29(2,3)4/h11-12,15-16,18,33H,7-10,13H2,1-6H3/t15?,16?,18-,30?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169294
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 7...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)c(Br)c(C)c(Cl)c3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H32BrClO7/c1-13(2)12-18(32)17-10-11-19-20(23(17)35-5)27(33)37-25-22(31)14(3)21(30)24(26(25)36-19)38-28(34)29(4)15-6-7-16(29)9-8-15/h10-11,13,15-16,18,32H,6-9,12H2,1-5H3/t15?,16?,18-,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169299
PNG
(2-Methyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic aci...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)CC5CC4C=C5)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H32O7/c1-15(2)10-20(30)19-8-9-21-24(25(19)33-5)27(31)35-22-11-16(3)12-23(26(22)34-21)36-28(32)29(4)14-17-6-7-18(29)13-17/h6-9,11-12,15,17-18,20,30H,10,13-14H2,1-5H3/t17?,18?,20-,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169295
PNG
(7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 2...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H34O7/c1-15(2)12-20(30)19-10-11-21-24(25(19)33-5)27(31)35-22-13-16(3)14-23(26(22)34-21)36-28(32)29(4)17-6-7-18(29)9-8-17/h10-11,13-15,17-18,20,30H,6-9,12H2,1-5H3/t17?,18?,20-,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169279
PNG
(Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-((S)-...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4CC5CC4C=C5)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C28H30O7/c1-14(2)9-20(29)18-7-8-21-24(25(18)32-4)28(31)35-23-11-15(3)10-22(26(23)33-21)34-27(30)19-13-16-5-6-17(19)12-16/h5-8,10-11,14,16-17,19-20,29H,9,12-13H2,1-4H3/t16?,17?,19?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169280
PNG
(1-Aza-bicyclo[2.2.1]heptane-1-carboxylic acid 2-((...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)[N+]45CCC(CC4)C5)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C27H32NO7/c1-15(2)11-19(29)18-5-6-20-23(24(18)32-4)26(30)34-21-12-16(3)13-22(25(21)33-20)35-27(31)28-9-7-17(14-28)8-10-28/h5-6,12-13,15,17,19,29H,7-11,14H2,1-4H3/q+1/t17?,19-,28?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169272
PNG
(3-Aza-bicyclo[3.2.0]heptane-3-carboxylic acid 2-((...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)N4CC5CCC5C4)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C27H31NO7/c1-14(2)9-19(29)18-7-8-20-23(24(18)32-4)26(30)34-21-10-15(3)11-22(25(21)33-20)35-27(31)28-12-16-5-6-17(16)13-28/h7-8,10-11,14,16-17,19,29H,5-6,9,12-13H2,1-4H3/t16?,17?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169281
PNG
(CHEMBL191555 | Cyclopentanecarboxylic acid 2-((S)-...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C4CCCC4)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C26H30O7/c1-14(2)11-18(27)17-9-10-19-22(23(17)30-4)26(29)33-21-13-15(3)12-20(24(21)31-19)32-25(28)16-7-5-6-8-16/h9-10,12-14,16,18,27H,5-8,11H2,1-4H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169298
PNG
(CHEMBL425360 | Propane-2-sulfonic acid 2-((S)-1-hy...)
Show SMILES COc1c(ccc2Oc3c(OS(=O)(=O)C(C)C)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C23H28O8S/c1-12(2)9-16(24)15-7-8-17-20(21(15)28-6)23(25)30-18-10-14(5)11-19(22(18)29-17)31-32(26,27)13(3)4/h7-8,10-13,16,24H,9H2,1-6H3/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169297
PNG
(CHEMBL365444 | Diisopropyl-carbamic acid 2-((S)-1-...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)N(C(C)C)C(C)C)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C27H35NO7/c1-14(2)11-19(29)18-9-10-20-23(24(18)32-8)26(30)34-21-12-17(7)13-22(25(21)33-20)35-27(31)28(15(3)4)16(5)6/h9-10,12-16,19,29H,11H2,1-8H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169288
PNG
(2,2-Dimethyl-propionic acid 2-((S)-1-hydroxy-3-met...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)C(C)(C)C)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C25H30O7/c1-13(2)10-16(26)15-8-9-17-20(21(15)29-7)23(27)31-18-11-14(3)12-19(22(18)30-17)32-24(28)25(4,5)6/h8-9,11-13,16,26H,10H2,1-7H3/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169275
PNG
(CHEMBL188656 | Pyrrolidine-1-carboxylic acid 2-((S...)
Show SMILES COc1c(ccc2Oc3c(OC(=O)N4CCCC4)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C25H29NO7/c1-14(2)11-17(27)16-7-8-18-21(22(16)30-4)24(28)32-19-12-15(3)13-20(23(19)31-18)33-25(29)26-9-5-6-10-26/h7-8,12-14,17,27H,5-6,9-11H2,1-4H3/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169291
PNG
(6-Cyclopentylmethoxy-2-((S)-1-hydroxy-3-methyl-but...)
Show SMILES COc1c(ccc2Oc3c(OCC4CCCC4)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C26H32O6/c1-15(2)11-19(27)18-9-10-20-23(24(18)29-4)26(28)32-22-13-16(3)12-21(25(22)31-20)30-14-17-7-5-6-8-17/h9-10,12-13,15,17,19,27H,5-8,11,14H2,1-4H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169290
PNG
(2-(1-Hydroxy-3,3-dimethyl-butyl)-1-methoxy-8-methy...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)CC(C)(C)C
Show InChI InChI=1S/C26H34O6/c1-15(2)10-11-30-20-12-16(3)13-21-24(20)31-19-9-8-17(18(27)14-26(4,5)6)23(29-7)22(19)25(28)32-21/h8-9,12-13,15,18,27H,10-11,14H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169278
PNG
(2-(1-Hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-6-...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)CC(C)C
Show InChI InChI=1S/C25H32O6/c1-14(2)9-10-29-20-12-16(5)13-21-24(20)30-19-8-7-17(18(26)11-15(3)4)23(28-6)22(19)25(27)31-21/h7-8,12-15,18,26H,9-11H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169277
PNG
(CHEMBL411222 | Diethyl-carbamic acid 2-((S)-1-hydr...)
Show SMILES CCN(CC)C(=O)Oc1cc(C)cc2OC(=O)c3c(Oc12)ccc([C@@H](O)CC(C)C)c3OC
Show InChI InChI=1S/C25H31NO7/c1-7-26(8-2)25(29)33-20-13-15(5)12-19-23(20)31-18-10-9-16(17(27)11-14(3)4)22(30-6)21(18)24(28)32-19/h9-10,12-14,17,27H,7-8,11H2,1-6H3/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169293
PNG
(CHEMBL191521 | Pentane-1-sulfonic acid 2-((S)-1-hy...)
Show SMILES CCCCCS(=O)(=O)Oc1cc(C)cc2OC(=O)c3c(Oc12)ccc([C@@H](O)CC(C)C)c3OC
Show InChI InChI=1S/C25H32O8S/c1-6-7-8-11-34(28,29)33-21-14-16(4)13-20-24(21)31-19-10-9-17(18(26)12-15(2)3)23(30-5)22(19)25(27)32-20/h9-10,13-15,18,26H,6-8,11-12H2,1-5H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169286
PNG
(2-(1-Hydroxy-2-methyl-propyl)-1-methoxy-8-methyl-6...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)C(C)C
Show InChI InChI=1S/C24H30O6/c1-13(2)9-10-28-18-11-15(5)12-19-23(18)29-17-8-7-16(21(25)14(3)4)22(27-6)20(17)24(26)30-19/h7-8,11-14,21,25H,9-10H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169287
PNG
(2,4,6-Trifluoro-benzenesulfonic acid 2-((S)-1-hydr...)
Show SMILES COc1c(ccc2Oc3c(OS(=O)(=O)c4c(F)cc(F)cc4F)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C26H23F3O8S/c1-12(2)7-18(30)15-5-6-19-22(23(15)34-4)26(31)36-20-8-13(3)9-21(24(20)35-19)37-38(32,33)25-16(28)10-14(27)11-17(25)29/h5-6,8-12,18,30H,7H2,1-4H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169284
PNG
(2-(2-Cyclopropyl-1-hydroxy-ethyl)-1-methoxy-8-meth...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)CC1CC1
Show InChI InChI=1S/C25H30O6/c1-14(2)9-10-29-20-11-15(3)12-21-24(20)30-19-8-7-17(18(26)13-16-5-6-16)23(28-4)22(19)25(27)31-21/h7-8,11-12,14,16,18,26H,5-6,9-10,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169289
PNG
(CHEMBL187917 | Trifluoro-methanesulfonic acid 2-((...)
Show SMILES COc1c(ccc2Oc3c(OS(=O)(=O)C(F)(F)F)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C21H21F3O8S/c1-10(2)7-13(25)12-5-6-14-17(18(12)29-4)20(26)31-15-8-11(3)9-16(19(15)30-14)32-33(27,28)21(22,23)24/h5-6,8-10,13,25H,7H2,1-4H3/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169285
PNG
(6-Benzyloxy-2-((S)-1-hydroxy-3-methyl-butyl)-1-met...)
Show SMILES COc1c(ccc2Oc3c(OCc4ccccc4)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C27H28O6/c1-16(2)12-20(28)19-10-11-21-24(25(19)30-4)27(29)33-23-14-17(3)13-22(26(23)32-21)31-15-18-8-6-5-7-9-18/h5-11,13-14,16,20,28H,12,15H2,1-4H3/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169292
PNG
(2-(1-Hydroxy-4-methyl-pentyl)-1-methoxy-8-methyl-6...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)CCC(C)C
Show InChI InChI=1S/C26H34O6/c1-15(2)7-9-19(27)18-8-10-20-23(24(18)29-6)26(28)32-22-14-17(5)13-21(25(22)31-20)30-12-11-16(3)4/h8,10,13-16,19,27H,7,9,11-12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169283
PNG
(2-(2-Cyclohexyl-1-hydroxy-ethyl)-1-methoxy-8-methy...)
Show SMILES COc1c(ccc2Oc3c(OCCC(C)C)cc(C)cc3OC(=O)c12)C(O)CC1CCCCC1
Show InChI InChI=1S/C28H36O6/c1-17(2)12-13-32-23-14-18(3)15-24-27(23)33-22-11-10-20(26(31-4)25(22)28(30)34-24)21(29)16-19-8-6-5-7-9-19/h10-11,14-15,17,19,21,29H,5-9,12-13,16H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50169274
PNG
(6-Hydroxy-2-((S)-1-hydroxy-3-methyl-butyl)-1-metho...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3OC(=O)c12)[C@@H](O)CC(C)C
Show InChI InChI=1S/C20H22O6/c1-10(2)7-13(21)12-5-6-15-17(18(12)24-4)20(23)26-16-9-11(3)8-14(22)19(16)25-15/h5-6,8-10,13,21-22H,7H2,1-4H3/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Healthcare Pharma Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay


Bioorg Med Chem Lett 15: 3611-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.073
BindingDB Entry DOI: 10.7270/Q2BZ65KB
More data for this
Ligand-Target Pair