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Compile Data Set for Download or QSAR

Found 8267 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid CB2 receptor'   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50340312
PNG
((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2nc(C(=O)c3cccc(Cl)c3Cl)n3ccccc23)CC1
Show InChI InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176622
PNG
(US9115121, 13)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27)
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222831
PNG
(CHEMBL401132 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-8-9-12)25-17(27)13-6-5-7-14(15(13)21)20(22,23)24/h5-7,12H,8-10H2,1-4H3/b25-18-
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n/an/a 0.410n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222845
PNG
(CHEMBL247830 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccccc2C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-9-10-13)24-17(26)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-11H2,1-4H3/b24-18-
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n/an/a 0.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341934
PNG
(CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341920
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1
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n/an/a 0.550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341930
PNG
(CHEMBL1765246 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22+,24-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 0.630n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50340311
PNG
((3-fluoro-2-(trifluoromethyl)phenyl)(1-(morpholino...)
Show SMILES Fc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1C(F)(F)F
Show InChI InChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50029958
PNG
(CHEMBL3353439)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)
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n/an/a 0.720n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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n/an/a 0.770n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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n/an/a 0.770n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 0.790n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341929
PNG
(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176668
PNG
(US9115121, 65)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(OCC(N)=O)c1
Show InChI InChI=1S/C20H19ClFN5O3/c1-29-20-26-18(13-4-7-15(21)16(10-13)30-11-17(23)28)25-19(27-20)24-9-8-12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H2,23,28)(H,24,25,26,27)
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US Patent
n/an/a 1n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176645
PNG
(US9115121, 37)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(F)c2cccnc12
Show InChI InChI=1S/C21H17F2N5O/c1-29-21-27-19(16-8-9-17(23)15-3-2-11-24-18(15)16)26-20(28-21)25-12-10-13-4-6-14(22)7-5-13/h2-9,11H,10,12H2,1H3,(H,25,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176606
PNG
(US9115121, 58)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(OC)c(c1)C(C)(C)O
Show InChI InChI=1S/C22H25FN4O3/c1-22(2,28)17-13-15(7-10-18(17)29-3)19-25-20(27-21(26-19)30-4)24-12-11-14-5-8-16(23)9-6-14/h5-10,13,28H,11-12H2,1-4H3,(H,24,25,26,27)
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US Patent
n/an/a 1n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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
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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n/an/a 1.10n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 in CHO cells assessed as inhibition of cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50375384
PNG
(CHEMBL263913)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C
Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176604
PNG
(US9115121, 46)
Show SMILES COc1nc(NCCc2ccc(OC(F)F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C22H23ClF2N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222834
PNG
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50258652
PNG
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341936
PNG
(CHEMBL1765261 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c27-23(18-10-11-21-17(16-18)12-14-25-21)26-15-13-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,10-12,14,16,20,22,25,28H,4-5,8-9,13,15H2/t20-,22+,24-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
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n/an/a 1.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
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n/an/a 1.53n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50375385
PNG
(CHEMBL264154)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C
Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50340313
PNG
(1-((4,4-difluoropiperidin-1-yl)methyl)-N-(6-(trifl...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nc(CN3CCC(F)(F)CC3)c3ccccn23)n1
Show InChI InChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 1.90n/an/an/an/an/an/a



National Central University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
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n/an/a 1.95n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222833
PNG
(CHEMBL555610 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cc(ccc2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-5-6-12)25-17(27)14-9-13(20(22,23)24)7-8-15(14)21/h7-9,12H,5-6,10H2,1-4H3/b25-18-
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n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222832
PNG
(CHEMBL248386 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(sc(=NC(=O)c2cc(ccc2C)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C21H25F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14H,7-8,11H2,1-5H3
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n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222844
PNG
(CHEMBL248015 | N-(5-tert-butyl-3-(2-ethoxyethyl)-4...)
Show SMILES CCOCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C20H25F3N2O2S/c1-6-27-11-10-25-13(2)16(19(3,4)5)28-18(25)24-17(26)14-8-7-9-15(12-14)20(21,22)23/h7-9,12H,6,10-11H2,1-5H3/b24-18-
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50375383
PNG
(CHEMBL440407)
Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+
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n/an/a 2.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176620
PNG
(US9115121, 11)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1cccc(c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C21H22FN5O3S/c1-30-21-25-19(15-3-2-4-18(13-15)31(28,29)27-17-9-10-17)24-20(26-21)23-12-11-14-5-7-16(22)8-6-14/h2-8,13,17,27H,9-12H2,1H3,(H,23,24,25,26)
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50340315
PNG
(3-((4,4-difluoropiperidin-1-yl)methyl)-N-((1-(hydr...)
Show SMILES OCC1(CNC(=O)c2nc(CN3CCC(F)(F)CC3)n3ccccc23)CCCC1
Show InChI InChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM176660
PNG
(US9115121, 53)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H23ClFN5O4S/c1-32-22-27-20(26-21(28-22)25-9-8-15-2-5-17(24)6-3-15)16-4-7-18(23)19(14-16)34(30,31)29-10-12-33-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,26,27,28)
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US Patent
n/an/a 3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50422837
PNG
(CHEMBL382676)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H29N3O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14,25H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50341933
PNG
(CHEMBL1765258 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(19-16-18-8-4-6-12-22(18)26-17-19)27-15-14-25(29,20-9-2-1-3-10-20)21-11-5-7-13-23(21)27/h1-4,6,8-10,12,16-17,21,23,29H,5,7,11,13-15H2/t21-,23+,25-/m1/s1
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n/an/a 3.38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (human))
BDBM50222837
PNG
(CHEMBL248385 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22F4N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-5-6-12)25-17(27)14-9-13(20(22,23)24)7-8-15(14)21/h7-9,12H,5-6,10H2,1-4H3/b25-18-
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n/an/a 3.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
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