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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'cremonesi' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289537
PNG
(1-(3-Phenyl-propyl)-3-((Z)-styryl)-piperidine | CH...)
Show SMILES C(CN1CCCC(C1)\C=C/c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23-18-8-14-22(19-23)16-15-21-11-5-2-6-12-21/h1-6,9-12,15-16,22H,7-8,13-14,17-19H2/b16-15-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289553
PNG
(1-Phenethyl-3-((Z)-styryl)-piperidine | CHEMBL3697...)
Show SMILES C(Cc1ccccc1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C21H25N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,13-14,21H,7,12,15-18H2/b14-13-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289552
PNG
(1-(3-Methyl-but-2-enyl)-3-((Z)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]/c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289539
PNG
(1-Cyclohexyl-3-((Z)-styryl)-piperidine | CHEMBL398...)
Show SMILES C1CCC(CC1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C19H27N/c1-3-8-17(9-4-1)13-14-18-10-7-15-20(16-18)19-11-5-2-6-12-19/h1,3-4,8-9,13-14,18-19H,2,5-7,10-12,15-16H2/b14-13-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289538
PNG
(1-Allyl-3-((E)-styryl)-piperidine | CHEMBL39735)
Show SMILES C=CCN1CCCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C16H21N/c1-2-12-17-13-6-9-16(14-17)11-10-15-7-4-3-5-8-15/h2-5,7-8,10-11,16H,1,6,9,12-14H2/b11-10+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289541
PNG
(1-(3-Phenyl-propyl)-3-((E)-styryl)-piperidine | CH...)
Show SMILES C(CN1CCCC(C1)\C=C\c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23-18-8-14-22(19-23)16-15-21-11-5-2-6-12-21/h1-6,9-12,15-16,22H,7-8,13-14,17-19H2/b16-15+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289547
PNG
(1-Phenethyl-3-((E)-styryl)-piperidine | CHEMBL2879...)
Show SMILES C(Cc1ccccc1)N1CCCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C21H25N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,13-14,21H,7,12,15-18H2/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289549
PNG
(1-Cyclohexyl-3-((E)-styryl)-piperidine | CHEMBL291...)
Show SMILES C1CCC(CC1)N1CCCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C19H27N/c1-3-8-17(9-4-1)13-14-18-10-7-15-20(16-18)19-11-5-2-6-12-19/h1,3-4,8-9,13-14,18-19H,2,5-7,10-12,15-16H2/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289551
PNG
(1-(4-Phenyl-butyl)-3-((Z)-styryl)-piperidine | CHE...)
Show SMILES C(CCc1ccccc1)CN1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C23H29N/c1-3-10-21(11-4-1)14-7-8-18-24-19-9-15-23(20-24)17-16-22-12-5-2-6-13-22/h1-6,10-13,16-17,23H,7-9,14-15,18-20H2/b17-16-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289545
PNG
(1-(2-Cyclohexyl-ethyl)-3-((Z)-styryl)-piperidine |...)
Show SMILES C(CN1CCCC(C1)\C=C/c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C21H31N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1,3-4,8-9,13-14,20-21H,2,5-7,10-12,15-18H2/b14-13-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289536
PNG
(1-Benzyl-3-((E)-styryl)-piperidine | CHEMBL39855)
Show SMILES C(N1CCCC(C1)\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-3-8-18(9-4-1)13-14-20-12-7-15-21(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,13-14,20H,7,12,15-17H2/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289554
PNG
(1-Pent-4-enyl-3-((E)-styryl)-piperidine | CHEMBL38...)
Show SMILES C=CCCCN1CCCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C18H25N/c1-2-3-7-14-19-15-8-11-18(16-19)13-12-17-9-5-4-6-10-17/h2,4-6,9-10,12-13,18H,1,3,7-8,11,14-16H2/b13-12+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289540
PNG
(1-(3-Phenoxy-propyl)-3-((Z)-styryl)-piperidine | C...)
Show SMILES C(COc1ccccc1)CN1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-3-9-20(10-4-1)14-15-21-11-7-16-23(19-21)17-8-18-24-22-12-5-2-6-13-22/h1-6,9-10,12-15,21H,7-8,11,16-19H2/b15-14-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289544
PNG
(1-Phenyl-4-[3-((Z)-styryl)-piperidin-1-yl]-butan-1...)
Show SMILES O=C(CCCN1CCCC(C1)\C=C/c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO/c25-23(22-12-5-2-6-13-22)14-8-18-24-17-7-11-21(19-24)16-15-20-9-3-1-4-10-20/h1-6,9-10,12-13,15-16,21H,7-8,11,14,17-19H2/b16-15-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289557
PNG
(Adamantane-1-carboxylic acid {4-[3-((Z)-styryl)-pi...)
Show SMILES O=C(NCCCCN1CCCC(C1)\C=C/c1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C28H40N2O/c31-27(28-18-24-15-25(19-28)17-26(16-24)20-28)29-12-4-5-13-30-14-6-9-23(21-30)11-10-22-7-2-1-3-8-22/h1-3,7-8,10-11,23-26H,4-6,9,12-21H2,(H,29,31)/b11-10-/t23?,24-,25+,26-,28?
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289556
PNG
(1,1-Dioxo-2-{4-[3-((E)-styryl)-piperidin-1-yl]-but...)
Show SMILES O=C1N(CCCCN2CCCC(C2)\C=C\c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-24-22-12-4-5-13-23(22)30(28,29)26(24)18-7-6-16-25-17-8-11-21(19-25)15-14-20-9-2-1-3-10-20/h1-5,9-10,12-15,21H,6-8,11,16-19H2/b15-14+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289543
PNG
(2-{3-[3-((Z)-Styryl)-piperidin-1-yl]-propylsulfany...)
Show SMILES C(CSc1nc2ccccc2s1)CN1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C23H26N2S2/c1-2-8-19(9-3-1)13-14-20-10-6-15-25(18-20)16-7-17-26-23-24-21-11-4-5-12-22(21)27-23/h1-5,8-9,11-14,20H,6-7,10,15-18H2/b14-13-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028951
PNG
(CHEMBL3359665)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C30H41NO2/c1-18(2)26-24-25(23-21(31-26)16-29(6,7)17-22(23)32)30(14-8-9-15-30)33-27(24)19-10-12-20(13-11-19)28(3,4)5/h10-13,18,22,27,32H,8-9,14-17H2,1-7H3/t22-,27+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289550
PNG
(1-(3-Phenoxy-propyl)-3-((E)-styryl)-piperidine | C...)
Show SMILES C(COc1ccccc1)CN1CCCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-3-9-20(10-4-1)14-15-21-11-7-16-23(19-21)17-8-18-24-22-12-5-2-6-13-22/h1-6,9-10,12-15,21H,7-8,11,16-19H2/b15-14+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028958
PNG
(CHEMBL3360275)
Show SMILES CC1(C)C[C@H](O)c2c3c([C@H](OC33CCCC3)c3ccc(cc3)C(F)(F)F)c(nc2C1)C1CCCC1 |r|
Show InChI InChI=1S/C29H34F3NO2/c1-27(2)15-20-22(21(34)16-27)24-23(25(33-20)17-7-3-4-8-17)26(35-28(24)13-5-6-14-28)18-9-11-19(12-10-18)29(30,31)32/h9-12,17,21,26,34H,3-8,13-16H2,1-2H3/t21-,26+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289546
PNG
(1-(3-Methyl-but-2-enyl)-3-((E)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]\c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028959
PNG
(CHEMBL3360276)
Show SMILES CC1(C)C[C@H](O)c2c3c([C@H](OC33CCCC3)c3ccc(cc3)C(F)(F)F)c(nc2C1)C1CCOCC1 |r|
Show InChI InChI=1S/C29H34F3NO3/c1-27(2)15-20-22(21(34)16-27)24-23(25(33-20)17-9-13-35-14-10-17)26(36-28(24)11-3-4-12-28)18-5-7-19(8-6-18)29(30,31)32/h5-8,17,21,26,34H,3-4,9-16H2,1-2H3/t21-,26+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028964
PNG
(CHEMBL3360278)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3NO2/c1-16(2)24-22-23(21-19(32-24)14-26(3,4)15-20(21)33)27(12-6-5-7-13-27)34-25(22)17-8-10-18(11-9-17)28(29,30)31/h8-11,16,20,25,33H,5-7,12-15H2,1-4H3/t20-,25+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028950
PNG
(CHEMBL3359664)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(C)(C)C#N |r|
Show InChI InChI=1S/C30H38N2O2/c1-18(2)26-24-25(23-21(32-26)15-28(3,4)16-22(23)33)30(13-7-8-14-30)34-27(24)19-9-11-20(12-10-19)29(5,6)17-31/h9-12,18,22,27,33H,7-8,13-16H2,1-6H3/t22-,27+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028952
PNG
(CHEMBL3360269)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)33-24(21)16-7-9-17(10-8-16)27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289542
PNG
(3-((Z)-Styryl)-piperidine | CHEMBL38345)
Show SMILES C1CNCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C13H17N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,8-9,13-14H,4,7,10-11H2/b9-8-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028955
PNG
(CHEMBL3360272)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H31F3N2O2/c1-14(2)22-20-21(19-17(31-22)11-24(3,4)12-18(19)32)25(9-5-6-10-25)33-23(20)16-8-7-15(13-30-16)26(27,28)29/h7-8,13-14,18,23,32H,5-6,9-12H2,1-4H3/t18-,23+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289553
PNG
(1-Phenethyl-3-((Z)-styryl)-piperidine | CHEMBL3697...)
Show SMILES C(Cc1ccccc1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C21H25N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,13-14,21H,7,12,15-18H2/b14-13-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028954
PNG
(CHEMBL3360271)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)34-24(21)16-7-9-17(10-8-16)33-27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028956
PNG
(CHEMBL3360273)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H31F3N2O2/c1-14(2)22-20-21(19-16(31-22)11-24(3,4)12-17(19)32)25(9-5-6-10-25)33-23(20)15-7-8-18(30-13-15)26(27,28)29/h7-8,13-14,17,23,32H,5-6,9-12H2,1-4H3/t17-,23+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289537
PNG
(1-(3-Phenyl-propyl)-3-((Z)-styryl)-piperidine | CH...)
Show SMILES C(CN1CCCC(C1)\C=C/c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23-18-8-14-22(19-23)16-15-21-11-5-2-6-12-21/h1-6,9-12,15-16,22H,7-8,13-14,17-19H2/b16-15-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP in presence of 88% human plasma by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289552
PNG
(1-(3-Methyl-but-2-enyl)-3-((Z)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]/c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289546
PNG
(1-(3-Methyl-but-2-enyl)-3-((E)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]\c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50289552
PNG
(1-(3-Methyl-but-2-enyl)-3-((Z)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]/c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D1 receptor in rat striatum by [3H]-SCH-22,390 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028957
PNG
(CHEMBL3360274)
Show SMILES CCc1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F3NO2/c1-4-17-21-22(20-18(30-17)13-24(2,3)14-19(20)31)25(11-5-6-12-25)32-23(21)15-7-9-16(10-8-15)26(27,28)29/h7-10,19,23,31H,4-6,11-14H2,1-3H3/t19-,23+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289548
PNG
(3-((E)-Styryl)-piperidine | CHEMBL40056)
Show SMILES C1CNCC(C1)\C=C\c1ccccc1
Show InChI InChI=1S/C13H17N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,8-9,13-14H,4,7,10-11H2/b9-8+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028953
PNG
(CHEMBL3360270)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(10-5-6-11-26)33-24(21)16-8-7-9-17(12-16)27(28,29)30/h7-9,12,15,19,24,32H,5-6,10-11,13-14H2,1-4H3/t19-,24+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028960
PNG
(CHEMBL3360277)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC2(C)C)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H30F3NO2/c1-13(2)21-19-20(18-16(29-21)11-23(3,4)12-17(18)30)24(5,6)31-22(19)14-7-9-15(10-8-14)25(26,27)28/h7-10,13,17,22,30H,11-12H2,1-6H3/t17-,22+/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028966
PNG
(CHEMBL3360280)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@@H](O)c2c2c1[C@@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m1/s1
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n/an/a 576n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50289553
PNG
(1-Phenethyl-3-((Z)-styryl)-piperidine | CHEMBL3697...)
Show SMILES C(Cc1ccccc1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C21H25N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,13-14,21H,7,12,15-18H2/b14-13-
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D1 receptor in rat striatum by [3H]-SCH-22,390 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50289555
PNG
(CHEMBL289972 | N-Phenyl-2-[3-((Z)-styryl)-piperidi...)
Show SMILES O=C(CN1CCCC(C1)\C=C/c1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C21H24N2O/c24-21(22-20-11-5-2-6-12-20)17-23-15-7-10-19(16-23)14-13-18-8-3-1-4-9-18/h1-6,8-9,11-14,19H,7,10,15-17H2,(H,22,24)/b14-13-
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n/an/a 640n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028948
PNG
(CHEMBL3359662)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H32FNO2/c1-15(2)23-21-22(20-18(28-23)13-25(3,4)14-19(20)29)26(11-5-6-12-26)30-24(21)16-7-9-17(27)10-8-16/h7-10,15,19,24,29H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 796n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289542
PNG
(3-((Z)-Styryl)-piperidine | CHEMBL38345)
Show SMILES C1CNCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C13H17N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,8-9,13-14H,4,7,10-11H2/b9-8-
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n/an/a 870n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028949
PNG
(CHEMBL3359663)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H32N2O2/c1-16(2)24-22-23(21-19(29-24)13-26(3,4)14-20(21)30)27(11-5-6-12-27)31-25(22)18-9-7-17(15-28)8-10-18/h7-10,16,20,25,30H,5-6,11-14H2,1-4H3/t20-,25+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289539
PNG
(1-Cyclohexyl-3-((Z)-styryl)-piperidine | CHEMBL398...)
Show SMILES C1CCC(CC1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C19H27N/c1-3-8-17(9-4-1)13-14-18-10-7-15-20(16-18)19-11-5-2-6-12-19/h1,3-4,8-9,13-14,18-19H,2,5-7,10-12,15-16H2/b14-13-
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n/an/a 1.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50289541
PNG
(1-(3-Phenyl-propyl)-3-((E)-styryl)-piperidine | CH...)
Show SMILES C(CN1CCCC(C1)\C=C\c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23-18-8-14-22(19-23)16-15-21-11-5-2-6-12-21/h1-6,9-12,15-16,22H,7-8,13-14,17-19H2/b16-15+
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n/an/a 1.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor in rat striatum by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50289546
PNG
(1-(3-Methyl-but-2-enyl)-3-((E)-styryl)-piperidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]\c1ccccc1
Show InChI InChI=1S/C18H25N/c1-16(2)12-14-19-13-6-9-18(15-19)11-10-17-7-4-3-5-8-17/h3-5,7-8,10-12,18H,6,9,13-15H2,1-2H3/b11-10+
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n/an/a 1.33E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D1 receptor in rat striatum by [3H]-SCH-22,390 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)


Article DOI: 10.1016/S0960-894X(97)00253-9
BindingDB Entry DOI: 10.7270/Q2N58MCN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028946
PNG
(CHEMBL3359660)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)33-24(21)16-7-9-17(10-8-16)27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
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