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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'griffin' and Initial = 'g'   
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


(MOUSE)
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 |r,TLB:21:22:28:26.25|
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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0.0500n/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 1


(Rattus norvegicus (rat))
BDBM50067497
PNG
((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
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 |r,TLB:21:22:28:26.25|
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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0.300n/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 |r,TLB:21:22:28:26.25|
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 |r,c:17|
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 1


(Rattus norvegicus (rat))
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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0.580n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
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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0.640n/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


(MOUSE)
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 |r,c:17|
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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0.720n/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


(MOUSE)
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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0.730n/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 1


(Rattus norvegicus (rat))
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 |c:18|
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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0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
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 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.19n/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


(Rattus norvegicus (Rat))
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 |r,c:17|
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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3.16n/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 1


(Rattus norvegicus (rat))
BDBM85803
PNG
((5Z,8Z,11Z,14Z)-N-(2-Fluoroethyl)-2-methyl-5,8,11,...)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)C(=O)NCCF
Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7+,11-10+,14-13+,17-16+
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5.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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8.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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9.46n/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


(Rattus norvegicus (Rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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10.4n/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


(Rattus norvegicus (Rat))
BDBM50061197
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12
Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1
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23n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


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



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
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 |t:11|
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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27.3n/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


(Rattus norvegicus (Rat))
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 |t:11|
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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28.3n/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))
BDBM50061196
PNG
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16|
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3
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36n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50061196
PNG
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16|
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3
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41n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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 |t:11|
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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41n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
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 |t:11|
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 1


(Rattus norvegicus (rat))
BDBM85801
PNG
(2-dimethyl-anandamide | O-687)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)(C)C(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(27)25-21-22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8+,12-11+,15-14+,18-17+
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47n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85795
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-N-(2-hydroxyethyl)-5,8,11...)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)C(=O)NCCO
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7+,11-10+,14-13+,17-16+
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53n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50080102
PNG
(CHEMBL71810 | JWH-030 | Naphthalen-1-yl-(1-pentyl-...)
Show SMILES CCCCCn1ccc(c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3
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87n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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89n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061197
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12
Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1
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90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
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


(Rattus norvegicus (Rat))
BDBM50061198
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8a,9,12,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CC=CCC3c2c2OCCCc12 |c:14|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-10-16-15-20-21(22-17(16)12-9-14-24-22)18-11-7-8-13-19(18)23(2,3)25-20/h7-8,15,18-19H,4-6,9-14H2,1-3H3/t18?,19-/m1/s1
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128n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85797
PNG
((5Z,8Z,11Z,14Z)-N-(1-Methyl-2-hydroxyethyl)-5,8,11...)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NC(C)CO
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7+,11-10+,14-13+,17-16+
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137n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50061194
PNG
((R)-8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=C)CC3c2c2OCCCc12
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h15,19-20H,2,5-14H2,1,3-4H3/t19?,20-/m1/s1
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200n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
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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269n/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 1


(Rattus norvegicus (rat))
BDBM85855
PNG
(O-2094)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C27H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-23-24-20-21-26(30)25(28)22-24/h6-7,9-10,12-13,15-16,20-22,30H,2-5,8,11,14,17-19,23H2,1H3,(H,29,31)/b7-6-,10-9-,13-12-,16-15-
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274n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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306n/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 1


(Rattus norvegicus (rat))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3
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308n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85798
PNG
(JWH-036)
Show SMILES CCCCCCCn1ccc(c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H25NO/c1-2-3-4-5-8-15-23-16-14-19(17-23)22(24)21-13-9-11-18-10-6-7-12-20(18)21/h6-7,9-14,16-17H,2-5,8,15H2,1H3
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309n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061198
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8a,9,12,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CC=CCC3c2c2OCCCc12 |c:14|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-10-16-15-20-21(22-17(16)12-9-14-24-22)18-11-7-8-13-19(18)23(2,3)25-20/h7-8,15,18-19H,4-6,9-14H2,1-3H3/t18?,19-/m1/s1
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364n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85796
PNG
(CAS_162934-74-9 | JWH-031)
Show SMILES CCCCCCn1ccc(c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H23NO/c1-2-3-4-7-14-22-15-13-18(16-22)21(23)20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-13,15-16H,2-4,7,14H2,1H3
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399n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
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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431n/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 1


(Rattus norvegicus (rat))
BDBM85856
PNG
(O-2142)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(OC(=O)CCCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C36H54N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-35(39)37-31-32-23-24-33(34(30-32)41-2)43-36(40)22-20-25-38-26-28-42-29-27-38/h7-8,10-11,13-14,16-17,23-24,30H,3-6,9,12,15,18-22,25-29,31H2,1-2H3,(H,37,39)/b8-7-,11-10-,14-13-,17-16-
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483n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85853
PNG
(O-1986)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C28H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(30)29-25-26-21-20-22-27(24-26)31-2/h7-8,10-11,13-14,16-17,20-22,24H,3-6,9,12,15,18-19,23,25H2,1-2H3,(H,29,30)/b8-7-,11-10-,14-13-,17-16-
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484n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061194
PNG
((R)-8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=C)CC3c2c2OCCCc12
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h15,19-20H,2,5-14H2,1,3-4H3/t19?,20-/m1/s1
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884n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85857
PNG
(O-2093)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(Cc1ccc(O)c(Cl)c1)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C34H43Cl2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(40)37(26-28-20-22-32(38)30(35)24-28)27-29-21-23-33(39)31(36)25-29/h6-7,9-10,12-13,15-16,20-25,38-39H,2-5,8,11,14,17-19,26-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
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1.29E+3n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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1.48E+3n/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 1


(Rattus norvegicus (rat))
BDBM85854
PNG
(O-1987)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C28H42N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-28(32)30-24-25-20-21-26(31)27(23-25)33-2/h7-8,10-11,13-14,16-17,20-21,23,31H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H2,29,30,32)/b8-7-,11-10-,14-13-,17-16-
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1.72E+3n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85851
PNG
(O-2109)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=S)NCc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C27H39ClN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-27(32)30-23-24-19-20-26(31)25(28)22-24/h6-7,9-10,12-13,15-16,19-20,22,31H,2-5,8,11,14,17-18,21,23H2,1H3,(H2,29,30,32)/b7-6-,10-9-,13-12-,16-15-
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1.80E+3n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85858
PNG
(O-1988)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C29H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(32)30(2)25-26-22-23-27(31)28(24-26)33-3/h8-9,11-12,14-15,17-18,22-24,31H,4-7,10,13,16,19-21,25H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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2.83E+3n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 984-91 (2002)


Article DOI: 10.1124/jpet.300.3.984
BindingDB Entry DOI: 10.7270/Q24M9332
More data for this
Ligand-Target Pair
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