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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'iwata' and Initial = 'y'   
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))
BDBM50260712
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-iso...)
Show SMILES CC(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C19H28N4O3/c1-12(2)10-11-22-13-8-6-7-9-14(13)23(18(22)26)17(25)21-15(16(20)24)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377918
PNG
(CHEMBL1162994)
Show SMILES CC(C)(C)C(NC(=O)n1c2ccccc2n(CCC2CCOCC2)c1=O)C(N)=O
Show InChI InChI=1S/C21H30N4O4/c1-21(2,3)17(18(22)26)23-19(27)25-16-7-5-4-6-15(16)24(20(25)28)11-8-14-9-12-29-13-10-14/h4-7,14,17H,8-13H2,1-3H3,(H2,22,26)(H,23,27)
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260627
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H29N5O4/c1-20(2,3)16(17(21)26)22-18(27)25-15-7-5-4-6-14(15)24(19(25)28)9-8-23-10-12-29-13-11-23/h4-7,16H,8-13H2,1-3H3,(H2,21,26)(H,22,27)/t16-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260672
PNG
((S)-N-(1-cyano-2,2-dimethylpropyl)-3-(2-morpholino...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C#N |r|
Show InChI InChI=1S/C20H27N5O3/c1-20(2,3)17(14-21)22-18(26)25-16-7-5-4-6-15(16)24(19(25)27)9-8-23-10-12-28-13-11-23/h4-7,17H,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260673
PNG
((S)-N-(2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)p...)
Show SMILES Cn1nnc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)17(18-23-25-26(4)24-18)22-19(30)29-16-8-6-5-7-15(16)28(20(29)31)10-9-27-11-13-32-14-12-27/h5-8,17H,9-14H2,1-4H3,(H,22,30)/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260709
PNG
(CHEMBL496497 | N-((S)-1-amino-3,3-dimethyl-1-oxobu...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2CCCO2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C19H26N4O4/c1-19(2,3)15(16(20)24)21-17(25)23-14-9-5-4-8-13(14)22(18(23)26)11-12-7-6-10-27-12/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261052
PNG
((R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)
Show SMILES O=C(N[C@@H]1CCCc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O |r|
Show InChI InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261051
PNG
(3-(2-morpholinoethyl)-N-(naphthalen-1-yl)-2-oxo-2,...)
Show SMILES O=C(Nc1cccc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29)
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260753
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-...)
Show SMILES CC(C)(O)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261099
PNG
((R)-1-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)
Show SMILES O=C(N[C@@H]1CCCc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O |r|
Show InChI InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260674
PNG
((S)-N-(2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-...)
Show SMILES Cc1noc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C22H30N6O4/c1-15-23-19(32-25-15)18(22(2,3)4)24-20(29)28-17-8-6-5-7-16(17)27(21(28)30)10-9-26-11-13-31-14-12-26/h5-8,18H,9-14H2,1-4H3,(H,24,29)/t18-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260514
PNG
((S)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-3-(2-morp...)
Show SMILES CC(C)(C)[C@@H](CO)NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O |r|
Show InChI InChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260626
PNG
((S)-N'-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)17(18(27)22-4)23-19(28)26-16-8-6-5-7-15(16)25(20(26)29)10-9-24-11-13-30-14-12-24/h5-8,17H,9-14H2,1-4H3,(H,22,27)(H,23,28)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260538
PNG
((S)-N-(1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N5O4/c1-22(2,3)18(19(28)24(4)5)23-20(29)27-17-9-7-6-8-16(17)26(21(27)30)11-10-25-12-14-31-15-13-25/h6-9,18H,10-15H2,1-5H3,(H,23,29)/t18-/m1/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261053
PNG
(1-(2-morpholinoethyl)-N-(naphthalen-1-yl)-2-oxo-1,...)
Show SMILES O=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O
Show InChI InChI=1S/C25H26N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-11H,12-18H2,(H,26,30)
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41n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260512
PNG
(CHEMBL494563 | N-(2-hydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES OC1CCc2ccccc2C1NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C24H28N4O4/c29-21-10-9-17-5-1-2-6-18(17)22(21)25-23(30)28-20-8-4-3-7-19(20)27(24(28)31)12-11-26-13-15-32-16-14-26/h1-8,21-22,29H,9-16H2,(H,25,30)
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51n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261100
PNG
(CHEMBL494627 | N-cyclohexyl-3-(2-morpholinoethyl)-...)
Show SMILES O=C(NC1CCCCC1)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C20H28N4O3/c25-19(21-16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23(20(24)26)11-10-22-12-14-27-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)
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60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260628
PNG
(CHEMBL495391 | N-((2S,3S)-1-amino-3-methyl-1-oxope...)
Show SMILES CC[C@H](C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H29N5O4/c1-3-14(2)17(18(21)26)22-19(27)25-16-7-5-4-6-15(16)24(20(25)28)9-8-23-10-12-29-13-11-23/h4-7,14,17H,3,8-13H2,1-2H3,(H2,21,26)(H,22,27)/t14-,17-/m0/s1
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67n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260712
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-iso...)
Show SMILES CC(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C19H28N4O3/c1-12(2)10-11-22-13-8-6-7-9-14(13)23(18(22)26)17(25)21-15(16(20)24)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t15-/m1/s1
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69n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260511
PNG
(CHEMBL495407 | N-(chroman-4-yl)-3-(2-morpholinoeth...)
Show SMILES O=C(NC1CCOc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28)
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74n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260750
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-((4...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2(O)CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H28N4O5/c1-19(2,3)15(16(21)25)22-17(26)24-14-7-5-4-6-13(14)23(18(24)27)12-20(28)8-10-29-11-9-20/h4-7,15,28H,8-12H2,1-3H3,(H2,21,25)(H,22,26)/t15-/m1/s1
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92n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260751
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCC2(O)CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C21H30N4O5/c1-20(2,3)16(17(22)26)23-18(27)25-15-7-5-4-6-14(15)24(19(25)28)11-8-21(29)9-12-30-13-10-21/h4-7,16,29H,8-13H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1
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144n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260752
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CC(C)(O)Cn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C18H26N4O4/c1-17(2,3)13(14(19)23)20-15(24)22-12-9-7-6-8-11(12)21(16(22)25)10-18(4,5)26/h6-9,13,26H,10H2,1-5H3,(H2,19,23)(H,20,24)/t13-/m1/s1
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196n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261102
PNG
(CHEMBL493804 | N-(1-(4-fluorophenyl)ethyl)-3-(2-mo...)
Show SMILES CC(NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN4O3/c1-16(17-6-8-18(23)9-7-17)24-21(28)27-20-5-3-2-4-19(20)26(22(27)29)11-10-25-12-14-30-15-13-25/h2-9,16H,10-15H2,1H3,(H,24,28)
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232n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260710
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-2-oxo...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H29N5O3/c1-20(2,3)16(17(21)26)22-18(27)25-15-9-5-4-8-14(15)24(19(25)28)13-12-23-10-6-7-11-23/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H2,21,26)(H,22,27)/t16-/m1/s1
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242n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260711
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CN(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C18H27N5O3/c1-18(2,3)14(15(19)24)20-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-21(4)5/h6-9,14H,10-11H2,1-5H3,(H2,19,24)(H,20,25)/t14-/m1/s1
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338n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260513
PNG
(CHEMBL494564 | N-((1S,2S)-2-hydroxycyclohexyl)-3-(...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O |r|
Show InChI InChI=1S/C20H28N4O4/c25-18-8-4-1-5-15(18)21-19(26)24-17-7-3-2-6-16(17)23(20(24)27)10-9-22-11-13-28-14-12-22/h2-3,6-7,15,18,25H,1,4-5,8-14H2,(H,21,26)/t15-,18-/m0/s1
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484n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260709
PNG
(CHEMBL496497 | N-((S)-1-amino-3,3-dimethyl-1-oxobu...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2CCCO2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C19H26N4O4/c1-19(2,3)15(16(20)24)21-17(25)23-14-9-5-4-8-13(14)22(18(23)26)11-12-7-6-10-27-12/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260753
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-...)
Show SMILES CC(C)(O)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377918
PNG
(CHEMBL1162994)
Show SMILES CC(C)(C)C(NC(=O)n1c2ccccc2n(CCC2CCOCC2)c1=O)C(N)=O
Show InChI InChI=1S/C21H30N4O4/c1-21(2,3)17(18(22)26)23-19(27)25-16-7-5-4-6-15(16)24(20(25)28)11-8-14-9-12-29-13-10-14/h4-7,14,17H,8-13H2,1-3H3,(H2,22,26)(H,23,27)
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1.47E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260673
PNG
((S)-N-(2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)p...)
Show SMILES Cn1nnc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)17(18-23-25-26(4)24-18)22-19(30)29-16-8-6-5-7-15(16)28(20(29)31)10-9-27-11-13-32-14-12-27/h5-8,17H,9-14H2,1-4H3,(H,22,30)/t17-/m1/s1
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1.48E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261099
PNG
((R)-1-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)
Show SMILES O=C(N[C@@H]1CCCc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O |r|
Show InChI InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261052
PNG
((R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)
Show SMILES O=C(N[C@@H]1CCCc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O |r|
Show InChI InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260511
PNG
(CHEMBL495407 | N-(chroman-4-yl)-3-(2-morpholinoeth...)
Show SMILES O=C(NC1CCOc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28)
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2.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260626
PNG
((S)-N'-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)17(18(27)22-4)23-19(28)26-16-8-6-5-7-15(16)25(20(26)29)10-9-24-11-13-30-14-12-24/h5-8,17H,9-14H2,1-4H3,(H,22,27)(H,23,28)/t17-/m1/s1
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2.72E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260750
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-((4...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2(O)CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H28N4O5/c1-19(2,3)15(16(21)25)22-17(26)24-14-7-5-4-6-13(14)23(18(24)27)12-20(28)8-10-29-11-9-20/h4-7,15,28H,8-12H2,1-3H3,(H2,21,25)(H,22,26)/t15-/m1/s1
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3.01E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260628
PNG
(CHEMBL495391 | N-((2S,3S)-1-amino-3-methyl-1-oxope...)
Show SMILES CC[C@H](C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C20H29N5O4/c1-3-14(2)17(18(21)26)22-19(27)25-16-7-5-4-6-15(16)24(20(25)28)9-8-23-10-12-29-13-11-23/h4-7,14,17H,3,8-13H2,1-2H3,(H2,21,26)(H,22,27)/t14-,17-/m0/s1
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>4.04E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM185702
PNG
(US9161945, (I))
Show SMILES COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(N)=O)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C34H48N2O8/c1-18(2)23-16-25(43-8)24(30-29(40)28(39)27(38)26(17-37)44-30)15-22(23)14-21-10-9-20(13-19(21)3)11-12-33(4,5)32(42)36-34(6,7)31(35)41/h9-13,15-16,18,26-30,37-40H,14,17H2,1-8H3,(H2,35,41)(H,36,42)/b12-11+/t26-,27-,28+,29-,30+/s2
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US Patent
n/an/a 65n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Pretreatment buffer (140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES/5 mM Tris, pH 7.4) was added to the stably expressing cel...


US Patent US9161945 (2015)


BindingDB Entry DOI: 10.7270/Q27M06PF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 200n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50099669
PNG
(CHEMBL295139 | Succinic acid benzyl ester 3-carbox...)
Show SMILES Cc1c(CC(O)=O)c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24ClNO7/c1-18-23(16-26(32)33)24-15-22(11-12-25(24)31(18)29(36)20-7-9-21(30)10-8-20)38-28(35)14-13-27(34)37-17-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,32,33)
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n/an/a 210n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aldose reductase (AR)


J Med Chem 44: 1718-28 (2001)


BindingDB Entry DOI: 10.7270/Q2N0177X
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50099672
PNG
(CHEMBL50599 | Succinic acid 3-carboxymethyl-1-(4-c...)
Show SMILES CC(OC(=O)CCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C30H26ClNO7/c1-18-24(17-27(33)34)25-16-23(12-13-26(25)32(18)30(37)21-8-10-22(31)11-9-21)39-29(36)15-14-28(35)38-19(2)20-6-4-3-5-7-20/h3-13,16,19H,14-15,17H2,1-2H3,(H,33,34)
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n/an/a 310n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aldose reductase (AR)


J Med Chem 44: 1718-28 (2001)


BindingDB Entry DOI: 10.7270/Q2N0177X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 400n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50099675
PNG
(CHEMBL416825 | Succinic acid 3-carboxymethyl-1-(4-...)
Show SMILES CCC(CC)OC(=O)CCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C27H28ClNO7/c1-4-19(5-2)35-25(32)12-13-26(33)36-20-10-11-23-22(14-20)21(15-24(30)31)16(3)29(23)27(34)17-6-8-18(28)9-7-17/h6-11,14,19H,4-5,12-13,15H2,1-3H3,(H,30,31)
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n/an/a 540n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aldose reductase (AR)


J Med Chem 44: 1718-28 (2001)


BindingDB Entry DOI: 10.7270/Q2N0177X
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM185702
PNG
(US9161945, (I))
Show SMILES COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(N)=O)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C34H48N2O8/c1-18(2)23-16-25(43-8)24(30-29(40)28(39)27(38)26(17-37)44-30)15-22(23)14-21-10-9-20(13-19(21)3)11-12-33(4,5)32(42)36-34(6,7)31(35)41/h9-13,15-16,18,26-30,37-40H,14,17H2,1-8H3,(H2,35,41)(H,36,42)/b12-11+/t26-,27-,28+,29-,30+/s2
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US Patent
n/an/a 554n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Pretreatment buffer (140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES/5 mM Tris, pH 7.4) was added to the stably expressing cel...


US Patent US9161945 (2015)


BindingDB Entry DOI: 10.7270/Q27M06PF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 700n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 700n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339630
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H18N2O5/c1-11(2)25-14-5-3-4-13(9-14)19-18(22)20-17(21)12-6-7-15-16(8-12)24-10-23-15/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261101
PNG
(CHEMBL523875 | N-cyclohexyl-N-methyl-3-(2-morpholi...)
Show SMILES CN(C1CCCCC1)C(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C21H30N4O3/c1-22(17-7-3-2-4-8-17)20(26)25-19-10-6-5-9-18(19)24(21(25)27)12-11-23-13-15-28-16-14-23/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
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