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PubMed code 21875798

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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8n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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11n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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13n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354807
PNG
(CHEMBL1834277)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+
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15n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354808
PNG
(CHEMBL1834014)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C24H28Cl3N5O3S/c1-16-22(24(33)29-13-5-3-2-4-6-14-30-36(28,34)35)31-32(21-12-11-19(26)15-20(21)27)23(16)17-7-9-18(25)10-8-17/h7-12,15,30H,2-6,13-14H2,1H3,(H,29,33)(H2,28,34,35)
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20n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354805
PNG
(CHEMBL1834020)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)
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21n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354804
PNG
(CHEMBL1834007)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)nc1
Show InChI InChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31)
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26n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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36n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354808
PNG
(CHEMBL1834014)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C24H28Cl3N5O3S/c1-16-22(24(33)29-13-5-3-2-4-6-14-30-36(28,34)35)31-32(21-12-11-19(26)15-20(21)27)23(16)17-7-9-18(25)10-8-17/h7-12,15,30H,2-6,13-14H2,1H3,(H,29,33)(H2,28,34,35)
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49n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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55n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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56n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354810
PNG
(CHEMBL1834013)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(C)(=O)=O
Show InChI InChI=1S/C25H29Cl3N4O3S/c1-17-23(25(33)29-14-6-4-3-5-7-15-30-36(2,34)35)31-32(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16,30H,3-7,14-15H2,1-2H3,(H,29,33)
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60n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354803
PNG
(CHEMBL1834006)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H15Cl3N4O2/c1-13-20(22(30)26-17-8-10-28(31)11-9-17)27-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,30)
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61n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354804
PNG
(CHEMBL1834007)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)nc1
Show InChI InChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31)
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102n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354807
PNG
(CHEMBL1834277)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+
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107n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354805
PNG
(CHEMBL1834020)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)
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135n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354810
PNG
(CHEMBL1834013)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(C)(=O)=O
Show InChI InChI=1S/C25H29Cl3N4O3S/c1-17-23(25(33)29-14-6-4-3-5-7-15-30-36(2,34)35)31-32(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16,30H,3-7,14-15H2,1-2H3,(H,29,33)
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158n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354803
PNG
(CHEMBL1834006)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H15Cl3N4O2/c1-13-20(22(30)26-17-8-10-28(31)11-9-17)27-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,30)
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294n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354810
PNG
(CHEMBL1834013)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(C)(=O)=O
Show InChI InChI=1S/C25H29Cl3N4O3S/c1-17-23(25(33)29-14-6-4-3-5-7-15-30-36(2,34)35)31-32(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16,30H,3-7,14-15H2,1-2H3,(H,29,33)
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780n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354806
PNG
(CHEMBL1834008)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)[n+](C)c1
Show InChI InChI=1S/C24H19Cl3N4O/c1-14-4-10-19(13-30(14)3)28-24(32)22-15(2)23(16-5-7-17(25)8-6-16)31(29-22)21-11-9-18(26)12-20(21)27/h4-13H,1-3H3/p+1
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786n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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900n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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960n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354808
PNG
(CHEMBL1834014)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C24H28Cl3N5O3S/c1-16-22(24(33)29-13-5-3-2-4-6-14-30-36(28,34)35)31-32(21-12-11-19(26)15-20(21)27)23(16)17-7-9-18(25)10-8-17/h7-12,15,30H,2-6,13-14H2,1H3,(H,29,33)(H2,28,34,35)
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1.01E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354806
PNG
(CHEMBL1834008)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)[n+](C)c1
Show InChI InChI=1S/C24H19Cl3N4O/c1-14-4-10-19(13-30(14)3)28-24(32)22-15(2)23(16-5-7-17(25)8-6-16)31(29-22)21-11-9-18(26)12-20(21)27/h4-13H,1-3H3/p+1
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1.70E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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1.74E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354807
PNG
(CHEMBL1834277)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+
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1.79E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354806
PNG
(CHEMBL1834008)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)[n+](C)c1
Show InChI InChI=1S/C24H19Cl3N4O/c1-14-4-10-19(13-30(14)3)28-24(32)22-15(2)23(16-5-7-17(25)8-6-16)31(29-22)21-11-9-18(26)12-20(21)27/h4-13H,1-3H3/p+1
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2.27E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354805
PNG
(CHEMBL1834020)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)
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2.31E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354804
PNG
(CHEMBL1834007)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)nc1
Show InChI InChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.01E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354803
PNG
(CHEMBL1834006)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H15Cl3N4O2/c1-13-20(22(30)26-17-8-10-28(31)11-9-17)27-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.52E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%