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Compile Data Set for Download or QSAR

Found 313 hits of Enz. Inhib. data with enzyme = 'Cannabinoid receptor 2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(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)/t22?,27?,29-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21244
PNG
(2-[(1S,2S,5S)-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-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21244
PNG
(2-[(1S,2S,5S)-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-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(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)/t22?,27?,29-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21244
PNG
(2-[(1S,2S,5S)-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-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(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)/t22?,27?,29-/m0/s1
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1.99n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86984
PNG
((R)-[2-(2,4-dichloro-phenyl)-6-fluoro-2-(4-fluoro-...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
BindingDB Entry DOI: 10.7270/Q26H4G0Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1
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3.13n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86035
PNG
(BAY 38-7271 | KN 38-7271)
Show SMILES OCC1=Cc2c(C1)c(Oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c1)ccc2O
Show InChI InChI=1S/C20H19F3O6S/c21-20(22,23)7-2-8-30(26,27)29-15-4-1-3-14(11-15)28-19-6-5-18(25)16-9-13(12-24)10-17(16)19/h1,3-6,9,11,24-25H,2,7-8,10,12H2
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5.96n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
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22.9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1
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25.1n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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35.9n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1
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44.9n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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45.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21282
PNG
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)
Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
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98.4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM87013
PNG
((3R,4S)-3-(benzofuran-2-ylmethyl)-4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)C1C(Cc2cc3ccccc3o2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C25H21NO3/c1-28-20-13-11-17(12-14-20)24-22(25(27)26(24)19-8-3-2-4-9-19)16-21-15-18-7-5-6-10-23(18)29-21/h2-15,22,24H,16H2,1H3
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194n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM87017
PNG
(CAS_44450408 | NSC_44450408 | S-(R)-1-((2S,3R)-1-(...)
Show SMILES CC(=O)SC(CCc1ccccc1)C1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H24FNO3S/c1-17(29)32-23(16-7-18-5-3-2-4-6-18)24-25(19-8-14-22(30)15-9-19)28(26(24)31)21-12-10-20(27)11-13-21/h2-6,8-15,23-25,30H,7,16H2,1H3
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282n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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300n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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400n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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442n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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554n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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560n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM87020
PNG
((3R,4S)-4-(4-methoxyphenyl)-1-phenyl-3-(3-(pyridin...)
Show SMILES COc1ccc(cc1)C1C(CCCc2cccnc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C24H24N2O2/c1-28-21-14-12-19(13-15-21)23-22(11-5-7-18-8-6-16-25-17-18)24(27)26(23)20-9-3-2-4-10-20/h2-4,6,8-10,12-17,22-23H,5,7,11H2,1H3
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1.09E+3n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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1.10E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM87016
PNG
(4-(4-methoxyphenyl)-1-phenyl-3-(2-(phenylsulfonyl)...)
Show SMILES COc1ccc(cc1)C1C(CCS(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C24H23NO4S/c1-29-20-14-12-18(13-15-20)23-22(24(26)25(23)19-8-4-2-5-9-19)16-17-30(27,28)21-10-6-3-7-11-21/h2-15,22-23H,16-17H2,1H3
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1.24E+3n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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1.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM87018
PNG
((3S,4R)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3...)
Show SMILES OC(CCC1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2
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1.82E+3n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86882
PNG
(CAS_4055807 | N-benzyl-5-(3,5-dimethylpiperidin-1-...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3
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3.10E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86885
PNG
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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4.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86879
PNG
(CAS_22422464 | N-(2-chlorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)19-8-9-22-20(11-19)17(3)23(31-22)24(28)26-12-18-6-4-5-7-21(18)25/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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4.80E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86883
PNG
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1
Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3
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4.90E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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6.00E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86891
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28)
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6.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86880
PNG
(CAS_11496202 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3
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6.60E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86886
PNG
(CAS_15991674 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
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6.60E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86884
PNG
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
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7.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86889
PNG
(CAS_4621779 | N-butyl-5-(3,5-dimethylpiperidin-1-y...)
Show SMILES CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24)
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9.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86876
PNG
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)
Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29)
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9.90E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86887
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM86537
PNG
(CAS_404-86-4 | Capsaicin | NSC_2548)
Show SMILES COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
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