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PubMed code 25690789

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064649
PNG
(CHEMBL3403772)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H](C)c1ccccc1
Show InChI InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064756
PNG
(CHEMBL3403785)
Show SMILES CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)c1
Show InChI InChI=1S/C23H31NO3/c1-5-16(2)15-27-20-11-12-21(17(3)13-20)22(14-25)24-23(26)18(4)19-9-7-6-8-10-19/h6-13,16,18,22,25H,5,14-15H2,1-4H3,(H,24,26)/t16-,18-,22-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064650
PNG
(CHEMBL3403773)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C24H31NO3/c1-3-7-17(2)16-28-20-12-10-19(11-13-20)23(15-26)25-24(27)22-14-21(22)18-8-5-4-6-9-18/h4-6,8-13,17,21-23,26H,3,7,14-16H2,1-2H3,(H,25,27)/t17?,21-,22+,23+/m1/s1
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n/an/an/an/a 730n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064747
PNG
(CHEMBL3403776)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](OC)c1ccccc1
Show InChI InChI=1S/C23H31NO4/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-25)24-23(26)22(27-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,21-,22-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064759
PNG
(CHEMBL3403788)
Show SMILES CC[C@H](C)COc1cc(C)c([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)c1
Show InChI InChI=1S/C24H33NO3/c1-6-16(2)15-28-21-12-17(3)23(18(4)13-21)22(14-26)25-24(27)19(5)20-10-8-7-9-11-20/h7-13,16,19,22,26H,6,14-15H2,1-5H3,(H,25,27)/t16-,19-,22-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064760
PNG
(CHEMBL3403789)
Show SMILES CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1
Show InChI InChI=1S/C22H30N2O3/c1-5-15(2)14-27-21-12-11-19(17(4)23-21)20(13-25)24-22(26)16(3)18-9-7-6-8-10-18/h6-12,15-16,20,25H,5,13-14H2,1-4H3,(H,24,26)/t15-,16-,20-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064763
PNG
(CHEMBL3403792)
Show SMILES CC[C@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1
Show InChI InChI=1S/C21H27NO3S/c1-3-14(2)13-25-16-8-6-15(7-9-16)19(12-23)22-21(24)18-11-17(18)20-5-4-10-26-20/h4-10,14,17-19,23H,3,11-13H2,1-2H3,(H,22,24)/t14-,17-,18-,19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064765
PNG
(CHEMBL3403794)
Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20+,21-/m0/s1
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n/an/an/an/a>2.70E+5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064768
PNG
(CHEMBL3403797)
Show SMILES OC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20+,21+/m1/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064642
PNG
(CHEMBL3403765)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1
Show InChI InChI=1S/C23H23NO2S/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(14-25)24-23(26)20-13-19(20)22-3-2-12-27-22/h2-12,19-21,25H,13-14H2,1H3,(H,24,26)/t19-,20-,21-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as [35S]GTPgammaS binding after 60 mins by trilux s...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064647
PNG
(CHEMBL3403770)
Show SMILES CO[C@@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C21H27NO4/c1-15(25-3)14-26-19-11-9-18(10-12-19)20(13-23)22-21(24)16(2)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t15-,16-,20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064748
PNG
(CHEMBL3403777)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](NC)c1ccccc1
Show InChI InChI=1S/C23H32N2O3/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-26)25-23(27)22(24-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,24,26H,4,8,15-16H2,1-3H3,(H,25,27)/t17?,21-,22-/m0/s1
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n/an/an/an/a 860n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064750
PNG
(CHEMBL3403779)
Show SMILES CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(C)(C)O
Show InChI InChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19-,23+/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064762
PNG
(CHEMBL3403791)
Show SMILES CC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1
Show InChI InChI=1S/C20H25NO3S/c1-13(2)12-24-15-7-5-14(6-8-15)18(11-22)21-20(23)17-10-16(17)19-4-3-9-25-19/h3-9,13,16-18,22H,10-12H2,1-2H3,(H,21,23)/t16-,17-,18-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064642
PNG
(CHEMBL3403765)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1
Show InChI InChI=1S/C23H23NO2S/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(14-25)24-23(26)20-13-19(20)22-3-2-12-27-22/h2-12,19-21,25H,13-14H2,1H3,(H,24,26)/t19-,20-,21-/m0/s1
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n/an/an/an/a 93n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064744
PNG
(CHEMBL3403774)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-3-7-16(2)15-25-19-12-10-17(11-13-19)20(14-23)22-21(24)18-8-5-4-6-9-18/h4-6,8-13,16,20,23H,3,7,14-15H2,1-2H3,(H,22,24)/t16?,20-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064755
PNG
(CHEMBL3403784)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN1CCCC1)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H38N2O2/c1-4-10-21(2)20-31-25-15-13-24(14-16-25)26(19-29-17-8-9-18-29)28-27(30)22(3)23-11-6-5-7-12-23/h5-7,11-16,21-22,26H,4,8-10,17-20H2,1-3H3,(H,28,30)/t21?,22-,26-/m0/s1
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n/an/an/an/a 570n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064758
PNG
(CHEMBL3403787)
Show SMILES CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C23H31NO4/c1-5-16(2)15-28-19-11-12-20(22(13-19)27-4)21(14-25)24-23(26)17(3)18-9-7-6-8-10-18/h6-13,16-17,21,25H,5,14-15H2,1-4H3,(H,24,26)/t16-,17-,21-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064761
PNG
(CHEMBL3403790)
Show SMILES COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C18H21NO3/c1-13(14-6-4-3-5-7-14)18(21)19-17(12-20)15-8-10-16(22-2)11-9-15/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m0/s1
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n/an/an/an/a 410n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064766
PNG
(CHEMBL3403795)
Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20-,21+/m1/s1
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n/an/an/an/a>8.10E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064767
PNG
(CHEMBL3403796)
Show SMILES OC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20-,21-/m0/s1
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n/an/an/an/a>1.10E+5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064746
PNG
(CHEMBL3400186)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C23H31NO4/c1-3-7-17(2)16-28-20-12-10-19(11-13-20)22(15-26)24-23(27)21(14-25)18-8-5-4-6-9-18/h4-6,8-13,17,21-22,25-26H,3,7,14-16H2,1-2H3,(H,24,27)/t17?,21?,22-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064754
PNG
(CHEMBL3403783)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN1CCOCC1)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H38N2O3/c1-4-8-21(2)20-32-25-13-11-24(12-14-25)26(19-29-15-17-31-18-16-29)28-27(30)22(3)23-9-6-5-7-10-23/h5-7,9-14,21-22,26H,4,8,15-20H2,1-3H3,(H,28,30)/t21?,22-,26-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064757
PNG
(CHEMBL3403786)
Show SMILES CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H28FNO3/c1-4-15(2)14-27-18-10-11-19(20(23)12-18)21(13-25)24-22(26)16(3)17-8-6-5-7-9-17/h5-12,15-16,21,25H,4,13-14H2,1-3H3,(H,24,26)/t15-,16-,21-/m0/s1
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n/an/an/an/a 460n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064641
PNG
(CHEMBL3403764)
Show SMILES OCC(NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20+,21?/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064645
PNG
(CHEMBL3403768)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064749
PNG
(CHEMBL3403778)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)N(CC)Cc1ccccc1
Show InChI InChI=1S/C24H34N2O3/c1-4-9-19(3)18-29-22-14-12-21(13-15-22)23(17-27)25-24(28)26(5-2)16-20-10-7-6-8-11-20/h6-8,10-15,19,23,27H,4-5,9,16-18H2,1-3H3,(H,25,28)/t19?,23-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064764
PNG
(CHEMBL3403793)
Show SMILES CC[C@H](C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O2/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-23)24-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21H,4,14-15,23H2,1-3H3,(H,24,25)/t16-,17-,21-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064646
PNG
(CHEMBL3403769)
Show SMILES C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCO2)cc1)c1ccccc1
Show InChI InChI=1S/C21H25NO4/c1-15(16-5-3-2-4-6-16)21(24)22-20(13-23)17-7-9-18(10-8-17)26-14-19-11-12-25-19/h2-10,15,19-20,23H,11-14H2,1H3,(H,22,24)/t15-,19?,20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064643
PNG
(CHEMBL3403766)
Show SMILES CC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-15(2)14-25-19-11-9-18(10-12-19)20(13-23)22-21(24)16(3)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t16-,20-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064644
PNG
(CHEMBL3403767)
Show SMILES CC[C@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C22H29NO3/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-24)23-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21,24H,4,14-15H2,1-3H3,(H,23,25)/t16-,17-,21-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064648
PNG
(CHEMBL3403771)
Show SMILES COCC(C)Oc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C21H27NO4/c1-15(14-25-3)26-19-11-9-18(10-12-19)20(13-23)22-21(24)16(2)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t15?,16-,20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064745
PNG
(CHEMBL3403775)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C22H29NO3/c1-3-7-17(2)16-26-20-12-10-19(11-13-20)21(15-24)23-22(25)14-18-8-5-4-6-9-18/h4-6,8-13,17,21,24H,3,7,14-16H2,1-2H3,(H,23,25)/t17?,21-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064751
PNG
(CHEMBL3403780)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C23H32N2O2/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26)/t17?,18-,22-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064753
PNG
(CHEMBL3403782)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C28H41N3O2/c1-5-9-22(2)21-33-26-14-12-25(13-15-26)27(20-31-18-16-30(4)17-19-31)29-28(32)23(3)24-10-7-6-8-11-24/h6-8,10-15,22-23,27H,5,9,16-21H2,1-4H3,(H,29,32)/t22?,23-,27-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064752
PNG
(CHEMBL3403781)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN(C)C)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%