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Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'ohta' and Initial = 'a'   
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161472
PNG
(CHEMBL3785095)
Show SMILES Oc1ccc(Br)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Show InChI InChI=1S/C21H25N3O3S/c1-22-12-14-23(15-13-22)16-17-27-21-9-5-8-20-19(21)10-11-24(20)28(25,26)18-6-3-2-4-7-18/h2-11H,12-17H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161467
PNG
(CHEMBL3785560)
Show SMILES Oc1ccc(Cl)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Show InChI InChI=1S/C23H27ClN2O/c24-21-5-6-22(27)19-14-25-17(13-18(19)21)15-26-11-9-23(10-12-26)8-7-16-3-1-2-4-20(16)23/h1-6,17,25,27H,7-15H2
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161471
PNG
(CHEMBL3785718)
Show SMILES Oc1cccc2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Show InChI InChI=1S/C20H22N2O4S/c23-27(24,17-5-2-1-3-6-17)22-10-9-18-19(22)7-4-8-20(18)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2
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2.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161400
PNG
(CHEMBL3785952)
Show SMILES Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1
Show InChI InChI=1S/C22H26ClFN2O/c1-14-10-16(24)2-3-18(14)15-6-8-26(9-7-15)13-17-11-19-20(12-25-17)22(27)5-4-21(19)23/h2-5,10,15,17,25,27H,6-9,11-13H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161399
PNG
(CHEMBL3786469)
Show SMILES Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1
Show InChI InChI=1S/C22H27FN2/c1-16-12-20(23)6-7-22(16)17-8-10-25(11-9-17)15-21-13-18-4-2-3-5-19(18)14-24-21/h2-7,12,17,21,24H,8-11,13-15H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171475
PNG
(CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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4.30n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171478
PNG
(CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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4.5n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
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
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
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))
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161474
PNG
(CHEMBL3787174)
Show SMILES C(C1CCc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-6-7-16-13(12-14)8-10-18(16)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
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5.60n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161475
PNG
(CHEMBL3785605)
Show SMILES C(C1COc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C16H16N2O3S/c17-10-12-21-16-8-4-7-15-14(16)9-11-18(15)22(19,20)13-5-2-1-3-6-13/h1-9,11H,10,12,17H2
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5.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161402
PNG
(CHEMBL3786899)
Show SMILES C(C1Cc2ccccc2CN1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C23H28N2/c1-2-7-20-16-24-21(15-19(20)6-1)17-25-13-11-23(12-14-25)10-9-18-5-3-4-8-22(18)23/h1-8,21,24H,9-17H2
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8.5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161473
PNG
(CHEMBL3785728)
Show SMILES Oc1ccc2CNC(CN3CCC4(CCc5ccccc45)CC3)Cc2c1
Show InChI InChI=1S/C22H27N3O3S/c1-23-12-6-13-24(16-15-23)17-18-28-22-10-5-9-21-20(22)11-14-25(21)29(26,27)19-7-3-2-4-8-19/h2-5,7-11,14H,6,12-13,15-18H2,1H3
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10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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))
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161476
PNG
(CHEMBL3785839)
Show SMILES NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C17H18N2O3S/c1-18-11-13-22-17-9-5-8-16-15(17)10-12-19(16)23(20,21)14-6-3-2-4-7-14/h2-10,12,18H,11,13H2,1H3
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18n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161403
PNG
(CHEMBL3786338)
Show SMILES CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C24H30N2/c1-25-17-21-8-3-2-7-20(21)16-22(25)18-26-14-12-24(13-15-26)11-10-19-6-4-5-9-23(19)24/h2-9,22H,10-18H2,1H3
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19n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171477
PNG
(CHEMBL191056 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,17H,15-16,18H2,1H3,(H,27,28)
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26n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161405
PNG
(CHEMBL3787051)
Show SMILES CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3
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30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161475
PNG
(CHEMBL3785605)
Show SMILES C(C1COc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C16H16N2O3S/c17-10-12-21-16-8-4-7-15-14(16)9-11-18(15)22(19,20)13-5-2-1-3-6-13/h1-9,11H,10,12,17H2
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49n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171483
PNG
(CHEMBL365501 | {3-[2-(Diphenyl-ethanesulfinyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O6S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)34(31)16-15-21-22-13-8-14-23(32-18-25(29)30)26(22)33-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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51n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161403
PNG
(CHEMBL3786338)
Show SMILES CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C24H30N2/c1-25-17-21-8-3-2-7-20(21)16-22(25)18-26-14-12-24(13-15-26)11-10-19-6-4-5-9-23(19)24/h2-9,22H,10-18H2,1H3
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58n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161467
PNG
(CHEMBL3785560)
Show SMILES Oc1ccc(Cl)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Show InChI InChI=1S/C23H27ClN2O/c24-21-5-6-22(27)19-14-25-17(13-18(19)21)15-26-11-9-23(10-12-26)8-7-16-3-1-2-4-20(16)23/h1-6,17,25,27H,7-15H2
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69n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171472
PNG
(CHEMBL190840 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30O5S/c1-29(21-10-4-2-5-11-21,22-12-6-3-7-13-22)35-19-17-23-24-14-8-15-26(33-20-27(31)32)28(24)34-25(23)16-9-18-30/h2-8,10-15,30H,9,16-20H2,1H3,(H,31,32)
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72n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161405
PNG
(CHEMBL3787051)
Show SMILES CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3
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74n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171474
PNG
(CHEMBL192662 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28O5S/c1-28(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-18-16-22-23-13-8-14-25(32-19-26(30)31)27(23)33-24(22)15-17-29/h2-14,29H,15-19H2,1H3,(H,30,31)
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78n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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80n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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80n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171465
PNG
(CHEMBL190708 | [3-(2-Benzhydrylsulfanyl-ethyl)-2-h...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O5S/c27-16-23-20(21-12-7-13-22(25(21)31-23)30-17-24(28)29)14-15-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,26-27H,14-17H2,(H,28,29)
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88n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
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
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161476
PNG
(CHEMBL3785839)
Show SMILES NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C17H18N2O3S/c1-18-11-13-22-17-9-5-8-16-15(17)10-12-19(16)23(20,21)14-6-3-2-4-7-14/h2-10,12,18H,11,13H2,1H3
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108n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161472
PNG
(CHEMBL3785095)
Show SMILES Oc1ccc(Br)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Show InChI InChI=1S/C21H25N3O3S/c1-22-12-14-23(15-13-22)16-17-27-21-9-5-8-20-19(21)10-11-24(20)28(25,26)18-6-3-2-4-7-18/h2-11H,12-17H2,1H3
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139n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
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
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171480
PNG
(CHEMBL191118 | {2-Hydroxymethyl-3-[2-(2,2,2-triflu...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H23F3O5S/c28-27(29,30)26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)36-15-14-20-21-12-7-13-22(34-17-24(32)33)25(21)35-23(20)16-31/h1-13,31H,14-17H2,(H,32,33)
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150n/an/an/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
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