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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'chen' and Initial = 'ya'   
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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178698
PNG
(CHEMBL3813720)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178700
PNG
(CHEMBL3814418)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011717
PNG
(CHEMBL3262876)
Show SMILES O=C(COc1ccc2ccccc2c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.1 nM oxysterol-induced [35S]GTPgammaS bindi...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.33 nM oxysterol-induced [35S]GTPgammaS bind...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178691
PNG
(CHEMBL3814359)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1/C24H20ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,20,34-35H,11-12,14H2/t20?,22-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of oxysterol-induced calcium release measured for 3 mins by FLIPR ass...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011689
PNG
(CHEMBL3262892)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c1-16-15-18(6-9-20(16)23)22(27)25-13-11-24(12-14-25)21(26)10-5-17-3-7-19(28-2)8-4-17/h3-10,15H,11-14H2,1-2H3/b10-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011692
PNG
(CHEMBL3262894)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011725
PNG
(CHEMBL3262883)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1F
Show InChI InChI=1S/C22H23FN2O2/c1-17-7-8-19(15-20(17)23)9-10-21(26)24-11-13-25(14-12-24)22(27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011578
PNG
(CHEMBL3262890)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N2O5/c1-29-20-10-3-17(4-11-20)5-12-21(26)24-13-15-25(16-14-24)22(27)18-6-8-19(9-7-18)23(28)30-2/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011592
PNG
(CHEMBL3262891)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C23H24N2O4/c1-28-20-6-2-17(3-7-20)4-9-22(26)24-11-13-25(14-12-24)23(27)19-5-8-21-18(16-19)10-15-29-21/h2-9,16H,10-15H2,1H3/b9-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011578
PNG
(CHEMBL3262890)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N2O5/c1-29-20-10-3-17(4-11-20)5-12-21(26)24-13-15-25(16-14-24)22(27)18-6-8-19(9-7-18)23(28)30-2/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011731
PNG
(CHEMBL3262889)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C23H27N3O3/c1-24(2)20-9-7-19(8-10-20)23(28)26-16-14-25(15-17-26)22(27)13-6-18-4-11-21(29-3)12-5-18/h4-13H,14-17H2,1-3H3/b13-6+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011722
PNG
(CHEMBL3262880)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-18-7-9-19(10-8-18)11-12-21(25)23-13-15-24(16-14-23)22(26)17-20-5-3-2-4-6-20/h2-12H,13-17H2,1H3/b12-11+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011731
PNG
(CHEMBL3262889)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C23H27N3O3/c1-24(2)20-9-7-19(8-10-20)23(28)26-16-14-25(15-17-26)22(27)13-6-18-4-11-21(29-3)12-5-18/h4-13H,14-17H2,1-3H3/b13-6+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011689
PNG
(CHEMBL3262892)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c1-16-15-18(6-9-20(16)23)22(27)25-13-11-24(12-14-25)21(26)10-5-17-3-7-19(28-2)8-4-17/h3-10,15H,11-14H2,1-2H3/b10-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011721
PNG
(CHEMBL3262879)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H21BrN2O2/c22-19-9-6-17(7-10-19)8-11-20(25)23-12-14-24(15-13-23)21(26)16-18-4-2-1-3-5-18/h1-11H,12-16H2/b11-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178692
PNG
(CHEMBL3814646)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011692
PNG
(CHEMBL3262894)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011724
PNG
(CHEMBL3262882)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H20Cl2N2O2/c22-18-8-6-17(14-19(18)23)7-9-20(26)24-10-12-25(13-11-24)21(27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/b9-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011719
PNG
(CHEMBL3262877)
Show SMILES Brc1ccc(OCC(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H21BrN2O3/c21-17-6-8-18(9-7-17)26-15-20(25)23-12-10-22(11-13-23)19(24)14-16-4-2-1-3-5-16/h1-9H,10-15H2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011723
PNG
(CHEMBL3262881)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-27-20-10-7-18(8-11-20)9-12-21(25)23-13-15-24(16-14-23)22(26)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3/b12-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011721
PNG
(CHEMBL3262879)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H21BrN2O2/c22-19-9-6-17(7-10-19)8-11-20(25)23-12-14-24(15-13-23)21(26)16-18-4-2-1-3-5-18/h1-11H,12-16H2/b11-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011592
PNG
(CHEMBL3262891)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C23H24N2O4/c1-28-20-6-2-17(3-7-20)4-9-22(26)24-11-13-25(14-12-24)23(27)19-5-8-21-18(16-19)10-15-29-21/h2-9,16H,10-15H2,1H3/b9-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011726
PNG
(CHEMBL3262884)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-17-4-3-5-19(16-17)22(26)24-14-12-23(13-15-24)21(25)11-8-18-6-9-20(27-2)10-7-18/h3-11,16H,12-15H2,1-2H3/b11-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011730
PNG
(CHEMBL3262888)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H24N2O4/c1-27-19-8-3-17(4-9-19)5-12-21(25)23-13-15-24(16-14-23)22(26)18-6-10-20(28-2)11-7-18/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011729
PNG
(CHEMBL3262887)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-17-3-8-19(9-4-17)22(26)24-15-13-23(14-16-24)21(25)12-7-18-5-10-20(27-2)11-6-18/h3-12H,13-16H2,1-2H3/b12-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011690
PNG
(CHEMBL3262893)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C23H26N2O3/c1-17-4-8-20(16-18(17)2)23(27)25-14-12-24(13-15-25)22(26)11-7-19-5-9-21(28-3)10-6-19/h4-11,16H,12-15H2,1-3H3/b11-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011724
PNG
(CHEMBL3262882)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H20Cl2N2O2/c22-18-8-6-17(14-19(18)23)7-9-20(26)24-10-12-25(13-11-24)21(27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/b9-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011725
PNG
(CHEMBL3262883)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1F
Show InChI InChI=1S/C22H23FN2O2/c1-17-7-8-19(15-20(17)23)9-10-21(26)24-11-13-25(14-12-24)22(27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/s2
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011690
PNG
(CHEMBL3262893)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C23H26N2O3/c1-17-4-8-20(16-18(17)2)23(27)25-14-12-24(13-15-25)22(26)11-7-19-5-9-21(28-3)10-6-19/h4-11,16H,12-15H2,1-3H3/b11-7+
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n/an/a 52n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/s2
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011729
PNG
(CHEMBL3262887)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-17-3-8-19(9-4-17)22(26)24-15-13-23(14-16-24)21(25)12-7-18-5-10-20(27-2)11-6-18/h3-12H,13-16H2,1-2H3/b12-7+
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n/an/a 54n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011730
PNG
(CHEMBL3262888)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H24N2O4/c1-27-19-8-3-17(4-9-19)5-12-21(25)23-13-15-24(16-14-23)22(26)18-6-10-20(28-2)11-7-18/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011728
PNG
(CHEMBL3262886)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-2-16(3-10-19)4-11-20(25)23-12-14-24(15-13-23)21(26)17-5-7-18(22)8-6-17/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011726
PNG
(CHEMBL3262884)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-17-4-3-5-19(16-17)22(26)24-14-12-23(13-15-24)21(25)11-8-18-6-9-20(27-2)10-7-18/h3-11,16H,12-15H2,1-2H3/b11-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011728
PNG
(CHEMBL3262886)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-2-16(3-10-19)4-11-20(25)23-12-14-24(15-13-23)21(26)17-5-7-18(22)8-6-17/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011727
PNG
(CHEMBL3262885)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N2O3/c1-30-19-9-2-16(3-10-19)4-11-20(28)26-12-14-27(15-13-26)21(29)17-5-7-18(8-6-17)22(23,24)25/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
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