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Compile Data Set for Download or QSAR

Found 2789 hits with Last Name = 'hynes' and Initial = 'j'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376456
PNG
(CHEMBL262592)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C
Show InChI InChI=1S/C28H30FN7O3/c1-4-30-28(38)23-15-36-25(18(23)3)26(31-16-32-36)34-24-14-21(6-5-17(24)2)33-27(37)19-11-20(29)13-22(12-19)35-7-9-39-10-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,30,38)(H,33,37)(H,31,32,34)
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0.420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376433
PNG
(CHEMBL258895)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C33H34N8O3/c1-21-9-10-26(38-32(42)25-11-12-34-29(17-25)40-13-15-44-16-14-40)18-28(21)39-31-30-22(2)27(19-41(30)36-20-35-31)33(43)37-23(3)24-7-5-4-6-8-24/h4-12,17-20,23H,13-16H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t23-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376434
PNG
(CHEMBL408150)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 |r|
Show InChI InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376435
PNG
(CHEMBL261845)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C34H34FN7O3/c1-21-9-10-27(39-33(43)25-15-26(35)17-28(16-25)41-11-13-45-14-12-41)18-30(21)40-32-31-22(2)29(19-42(31)37-20-36-32)34(44)38-23(3)24-7-5-4-6-8-24/h4-10,15-20,23H,11-14H2,1-3H3,(H,38,44)(H,39,43)(H,36,37,40)/t23-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376432
PNG
(CHEMBL258748)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C
Show InChI InChI=1S/C28H31N7O3/c1-4-29-28(37)23-16-35-25(19(23)3)26(30-17-31-35)33-24-15-21(9-8-18(24)2)32-27(36)20-6-5-7-22(14-20)34-10-12-38-13-11-34/h5-9,14-17H,4,10-13H2,1-3H3,(H,29,37)(H,32,36)(H,30,31,33)
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0.980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50018235
PNG
(5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-y...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H24ClN7O3/c22-17-12(5-8-14-16(17)18(24)29-21(25)28-14)10-26-13-6-3-11(4-7-13)19(30)27-15(20(31)32)2-1-9-23/h3-8,15,26H,1-2,9-10,23H2,(H,27,30)(H,31,32)(H4,24,25,28,29)
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1.70n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase


J Med Chem 32: 1559-65 (1989)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against to human cannabinoid receptor 1 in chinese hamster ovary cells


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128092
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376457
PNG
(CHEMBL259596)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C31H27N7O2/c1-19-9-14-25(36-30(39)24-12-10-22(16-32)11-13-24)15-27(19)37-29-28-20(2)26(17-38(28)34-18-33-29)31(40)35-21(3)23-7-5-4-6-8-23/h4-15,17-18,21H,1-3H3,(H,35,40)(H,36,39)(H,33,34,37)/t21-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2739-44 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451435
PNG
(CHEMBL2112289)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCCCC)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C26H38N2O2/c1-7-8-9-15-28-17(2)21(19-11-10-12-20(30-6)22(19)28)23(29)27-24-25(3,4)18-13-14-26(24,5)16-18/h10-12,18,24H,7-9,13-16H2,1-6H3,(H,27,29)/t18-,24?,26+/m1/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aorta


J Med Chem 30: 675-8 (1987)


BindingDB Entry DOI: 10.7270/Q2G44QW6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116851
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C27H33N3O5/c1-19-24(26(31)28-22(27(32)34-3)18-20-8-5-4-6-9-20)21-10-7-11-23(33-2)25(21)30(19)13-12-29-14-16-35-17-15-29/h4-11,22H,12-18H2,1-3H3,(H,28,31)/t22-/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116857
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)C(C)=O)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H33N3O4/c1-19-25(27(32)28-23(20(2)31)18-21-8-5-4-6-9-21)22-10-7-11-24(33-3)26(22)30(19)13-12-29-14-16-34-17-15-29/h4-11,23H,12-18H2,1-3H3,(H,28,32)/t23-/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002472
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)
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8.30n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase


J Med Chem 32: 1559-65 (1989)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002472
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)
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8.30n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hog liver Folyl polyglutamate synthetase (FPGS)


J Med Chem 35: 4078-85 (1992)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50003467
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-5-trifluoromethyl-3,4...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H23F3N6O4/c23-22(24,25)17-12(5-8-14-16(17)19(33)31-21(27)30-14)10-28-13-6-3-11(4-7-13)18(32)29-15(20(34)35)2-1-9-26/h3-8,15,28H,1-2,9-10,26H2,(H,29,32)(H,34,35)(H3,27,30,31,33)
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8.80n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hog liver Folyl polyglutamate synthetase (FPGS)


J Med Chem 35: 4078-85 (1992)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128100
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50003471
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-5-trifluoromethyl-3,4...)
Show SMILES NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H23F3N6O4/c23-22(24,25)17-14(8-7-13-16(17)19(33)31-21(27)30-13)28-10-11-3-5-12(6-4-11)18(32)29-15(20(34)35)2-1-9-26/h3-8,15,28H,1-2,9-10,26H2,(H,29,32)(H,34,35)(H3,27,30,31,33)
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11n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hog liver Folyl polyglutamate synthetase (FPGS)


J Med Chem 35: 4078-85 (1992)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116849
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1C2(C)CCC(C2)C1(C)C |THB:21:22:28:25.26|
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116855
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1cccs1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C25H31N3O5S/c1-17-22(24(29)26-20(25(30)32-3)16-18-6-5-15-34-18)19-7-4-8-21(31-2)23(19)28(17)10-9-27-11-13-33-14-12-27/h4-8,15,20H,9-14,16H2,1-3H3,(H,26,29)/t20-/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451436
PNG
(CHEMBL2112287)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)N[C@@H]1C2(C)CCC(C2)C1(C)C |THB:21:22:28:25.26|
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18?,24-,26?/m0/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451431
PNG
(CHEMBL2112293)
Show SMILES COc1cc(F)cc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:11:12:18:15.16|
Show InChI InChI=1S/C27H38FN3O3/c1-17-22(24(32)29-25-26(2,3)18-6-7-27(25,4)16-18)20-14-19(28)15-21(33-5)23(20)31(17)9-8-30-10-12-34-13-11-30/h14-15,18,25H,6-13,16H2,1-5H3,(H,29,32)/t18?,25-,27?/m1/s1
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116837
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C24H30N4O5S/c1-16-21(23(29)26-19(24(30)32-3)13-17-14-34-15-25-17)18-5-4-6-20(31-2)22(18)28(16)8-7-27-9-11-33-12-10-27/h4-6,14-15,19H,7-13H2,1-3H3,(H,26,29)/t19-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116859
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1CC(C)(C)CCC1(C)C
Show InChI InChI=1S/C26H39N3O3/c1-25(2)9-10-26(3,4)22(17-25)27-24(30)20-18-29(12-11-28-13-15-32-16-14-28)23-19(20)7-6-8-21(23)31-5/h6-8,18,22H,9-17H2,1-5H3,(H,27,30)
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128092
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116847
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C28H35N3O4/c1-4-24(32)23(19-21-9-6-5-7-10-21)29-28(33)26-20(2)31(14-13-30-15-17-35-18-16-30)27-22(26)11-8-12-25(27)34-3/h5-12,23H,4,13-19H2,1-3H3,(H,29,33)/t23-/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451434
PNG
(CHEMBL2112290)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C28H41N3O3/c1-19-23(25(32)29-26-27(2,3)20-10-11-28(26,4)18-20)21-8-6-9-22(33-5)24(21)31(19)13-7-12-30-14-16-34-17-15-30/h6,8-9,20,26H,7,10-18H2,1-5H3,(H,29,32)/t20-,26?,28+/m1/s1
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116860
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:10:11:17:14.15|
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19?,25-,27?/m1/s1
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30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116835
PNG
((S)-3-(3-Chloro-phenyl)-2-{[7-methoxy-2-methyl-1-(...)
Show SMILES COC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C27H32ClN3O5/c1-18-24(26(32)29-22(27(33)35-3)17-19-6-4-7-20(28)16-19)21-8-5-9-23(34-2)25(21)31(18)11-10-30-12-14-36-15-13-30/h4-9,16,22H,10-15,17H2,1-3H3,(H,29,32)/t22-/m0/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116852
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3CC(C)(C)CCC3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H41N3O3/c1-19-23(25(31)28-22-18-26(2,3)10-11-27(22,4)5)20-8-7-9-21(32-6)24(20)30(19)13-12-29-14-16-33-17-15-29/h7-9,22H,10-18H2,1-6H3,(H,28,31)
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 1 expressed in CHO cells by using CP55,940 as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116845
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:10:11:17:14.15|
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19?,25-,27?/m0/s1
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451433
PNG
(CHEMBL2112291)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCOC)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C24H34N2O3/c1-15-19(17-8-7-9-18(29-6)20(17)26(15)12-13-28-5)21(27)25-22-23(2,3)16-10-11-24(22,4)14-16/h7-9,16,22H,10-14H2,1-6H3,(H,25,27)/t16-,22?,24+/m1/s1
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002471
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octa...)
Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)
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64n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Potent inhibitor of Folyl-polyglutamate synthase obtained from porcine


J Med Chem 35: 2002-6 (1992)


BindingDB Entry DOI: 10.7270/Q2X9297Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128094
PNG
(6-Methoxy-2-(2-methoxy-benzyl)-5-(2-morpholin-4-yl...)
Show SMILES COc1ccccc1Cn1ccc2n(CCN3CCOCC3)c3c(OC)cccc3c2c1=O
Show InChI InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128096
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)N(Cc1c(F)cccc1Cl)C(C)C
Show InChI InChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116842
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)N[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C25H31N3O3/c1-19(17-20-7-4-3-5-8-20)26-25(29)22-18-28(12-11-27-13-15-31-16-14-27)24-21(22)9-6-10-23(24)30-2/h3-10,18-19H,11-17H2,1-2H3,(H,26,29)/t19-/m0/s1
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128097
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1ccccc1CNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C23H28N4O4/c1-29-19-8-4-3-6-17(19)16-24-23(28)21-18-7-5-9-20(30-2)22(18)27(25-21)11-10-26-12-14-31-15-13-26/h3-9H,10-16H2,1-2H3,(H,24,28)
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116846
PNG
((S)-2-[(E)-3-(4-Methoxy-3-pentyloxy-phenyl)-acrylo...)
Show SMILES CCCCCOc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccc1OC
Show InChI InChI=1S/C25H31NO5/c1-4-5-9-16-31-23-18-20(12-14-22(23)29-2)13-15-24(27)26-21(25(28)30-3)17-19-10-7-6-8-11-19/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3,(H,26,27)/b15-13+/t21-/m0/s1
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86n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451438
PNG
(CHEMBL2112286)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1c(C)n(CCN3CCCCC3)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C28H41N3O2/c1-19-23(25(32)29-26-27(2,3)20-12-13-28(26,4)18-20)21-10-9-11-22(33-5)24(21)31(19)17-16-30-14-7-6-8-15-30/h9-11,20,26H,6-8,12-18H2,1-5H3,(H,29,32)/t20-,26-,28+/m1/s1
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451432
PNG
(CHEMBL2112292)
Show SMILES CCc1c(C(=O)N[C@H]2C3(C)CCC(C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1 |THB:6:7:13:10.11|
Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19?,26-,28?/m1/s1
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103n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128098
PNG
(2-Ethyl-7-methoxy-1-(2-morpholin-4-yl-ethyl)-1H-in...)
Show SMILES CCc1c(C(=O)NC2[C@@]3(C)CC[C@H](C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1
Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19-,26?,28+/m1/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116862
PNG
((S)-3-(4-Hydroxy-phenyl)-2-[(E)-3-(4-methoxy-3-pen...)
Show SMILES CCCCCOc1cc(\C=C\C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)ccc1OC
Show InChI InChI=1S/C25H31NO6/c1-4-5-6-15-32-23-17-19(9-13-22(23)30-2)10-14-24(28)26-21(25(29)31-3)16-18-7-11-20(27)12-8-18/h7-14,17,21,27H,4-6,15-16H2,1-3H3,(H,26,28)/b14-10+/t21-/m0/s1
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120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
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