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PubMed code 22130134

Compile data set for download or QSAR
Found 58 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 2


(Homo sapiens (Human))
BDBM50364078
PNG
(CHEMBL1950933)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)c1nccs1
Show InChI InChI=1S/C21H26N4O3S2/c1-21(2,3)19-23-17-12-16(30(27,28)20-22-8-11-29-20)4-5-18(17)25(19)13-15-6-9-24(14-26)10-7-15/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3
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n/an/an/an/a 8.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364104
PNG
(CHEMBL1950930)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCO)C(C)(C)C)CC1
Show InChI InChI=1S/C22H33N3O4S/c1-16(27)24-10-8-17(9-11-24)15-25-20-7-6-18(30(28,29)13-5-12-26)14-19(20)23-21(25)22(2,3)4/h6-7,14,17,26H,5,8-13,15H2,1-4H3
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n/an/an/an/a 145n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364077
PNG
(CHEMBL1950932)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2ccncc2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H30N4O3S/c1-17(29)27-13-9-18(10-14-27)16-28-22-6-5-20(15-21(22)26-23(28)24(2,3)4)32(30,31)19-7-11-25-12-8-19/h5-8,11-12,15,18H,9-10,13-14,16H2,1-4H3
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n/an/an/an/a 4.60n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364079
PNG
(CHEMBL1950934)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2nccs2)C(C)(C)C)CC1
Show InChI InChI=1S/C22H28N4O3S2/c1-15(27)25-10-7-16(8-11-25)14-26-19-6-5-17(31(28,29)21-23-9-12-30-21)13-18(19)24-20(26)22(2,3)4/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3
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n/an/an/an/a 7.70n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364084
PNG
(CHEMBL1950831)
Show SMILES COCCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-11-32-12-9-18)34(29,30)20-7-10-26-23(16-20)33-14-13-31-4/h5-7,10,15-16,18H,8-9,11-14,17H2,1-4H3
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n/an/an/an/a 804n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364092
PNG
(CHEMBL1950839)
Show SMILES CCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C24H34F3N3O3S/c1-5-21(31)29-12-9-17(10-13-29)16-30-20-8-7-18(15-19(20)28-22(30)23(2,3)4)34(32,33)14-6-11-24(25,26)27/h7-8,15,17H,5-6,9-14,16H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364099
PNG
(CHEMBL1950925)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C22H31N3O3S/c1-22(2,3)21-23-19-12-18(29(27,28)14-17-4-5-17)6-7-20(19)25(21)13-16-8-10-24(15-26)11-9-16/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364101
PNG
(CHEMBL1950927)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCS(=O)(=O)CC1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C21H30N2O4S2/c1-21(2,3)20-22-18-12-17(29(26,27)14-16-4-5-16)6-7-19(18)23(20)13-15-8-10-28(24,25)11-9-15/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3
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n/an/an/an/a 2.68E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364077
PNG
(CHEMBL1950932)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2ccncc2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H30N4O3S/c1-17(29)27-13-9-18(10-14-27)16-28-22-6-5-20(15-21(22)26-23(28)24(2,3)4)32(30,31)19-7-11-25-12-8-19/h5-8,11-12,15,18H,9-10,13-14,16H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364082
PNG
(CHEMBL1950829)
Show SMILES COCCCNc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H36N4O4S/c1-26(2,3)25-29-22-16-20(6-7-23(22)30(25)18-19-9-14-34-15-10-19)35(31,32)21-8-12-28-24(17-21)27-11-5-13-33-4/h6-8,12,16-17,19H,5,9-11,13-15,18H2,1-4H3,(H,27,28)
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n/an/an/an/a 0.800n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364083
PNG
(CHEMBL1950830)
Show SMILES COCCCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H35N3O5S/c1-26(2,3)25-28-22-16-20(6-7-23(22)29(25)18-19-9-14-33-15-10-19)35(30,31)21-8-11-27-24(17-21)34-13-5-12-32-4/h6-8,11,16-17,19H,5,9-10,12-15,18H2,1-4H3
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n/an/an/an/a 0.5n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364091
PNG
(CHEMBL1950838)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C23H32F3N3O3S/c1-16(30)28-11-8-17(9-12-28)15-29-20-7-6-18(14-19(20)27-21(29)22(2,3)4)33(31,32)13-5-10-23(24,25)26/h6-7,14,17H,5,8-13,15H2,1-4H3
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n/an/an/an/a 13n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364093
PNG
(CHEMBL1950840)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C(=O)C(F)(F)F)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C23H29F6N3O3S/c1-21(2,3)19-30-17-13-16(36(34,35)12-4-9-22(24,25)26)5-6-18(17)32(19)14-15-7-10-31(11-8-15)20(33)23(27,28)29/h5-6,13,15H,4,7-12,14H2,1-3H3
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n/an/an/an/a 23n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364086
PNG
(CHEMBL1950833)
Show SMILES COCCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H35N3O4S/c1-26(2,3)25-28-23-17-21(7-8-24(23)29(25)18-19-10-14-33-15-11-19)34(30,31)22-9-12-27-20(16-22)6-5-13-32-4/h7-9,12,16-17,19H,5-6,10-11,13-15,18H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364083
PNG
(CHEMBL1950830)
Show SMILES COCCCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H35N3O5S/c1-26(2,3)25-28-22-16-20(6-7-23(22)29(25)18-19-9-14-33-15-10-19)35(30,31)21-8-11-27-24(17-21)34-13-5-12-32-4/h6-8,11,16-17,19H,5,9-10,12-15,18H2,1-4H3
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n/an/an/an/a 3.85E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364091
PNG
(CHEMBL1950838)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C23H32F3N3O3S/c1-16(30)28-11-8-17(9-12-28)15-29-20-7-6-18(14-19(20)27-21(29)22(2,3)4)33(31,32)13-5-10-23(24,25)26/h6-7,14,17H,5,8-13,15H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364100
PNG
(CHEMBL1950926)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CC2CC2)C(C)(C)C)CC1
Show InChI InChI=1S/C23H33N3O3S/c1-16(27)25-11-9-17(10-12-25)14-26-21-8-7-19(30(28,29)15-18-5-6-18)13-20(21)24-22(26)23(2,3)4/h7-8,13,17-18H,5-6,9-12,14-15H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364103
PNG
(CHEMBL1950929)
Show SMILES COCCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C22H33N3O4S/c1-16(26)24-10-8-17(9-11-24)15-25-20-7-6-18(30(27,28)13-12-29-5)14-19(20)23-21(25)22(2,3)4/h6-7,14,17H,8-13,15H2,1-5H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364105
PNG
(CHEMBL1950931)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2ccc(F)cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C25H30FN3O3S/c1-17(30)28-13-11-18(12-14-28)16-29-23-10-9-21(15-22(23)27-24(29)25(2,3)4)33(31,32)20-7-5-19(26)6-8-20/h5-10,15,18H,11-14,16H2,1-4H3
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n/an/an/an/a 2.90n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364082
PNG
(CHEMBL1950829)
Show SMILES COCCCNc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H36N4O4S/c1-26(2,3)25-29-22-16-20(6-7-23(22)30(25)18-19-9-14-34-15-10-19)35(31,32)21-8-12-28-24(17-21)27-11-5-13-33-4/h6-8,12,16-17,19H,5,9-11,13-15,18H2,1-4H3,(H,27,28)
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n/an/an/an/a 955n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364095
PNG
(CHEMBL1950921)
Show SMILES COCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C24H34F3N3O4S/c1-23(2,3)22-28-19-14-18(35(32,33)13-5-10-24(25,26)27)6-7-20(19)30(22)15-17-8-11-29(12-9-17)21(31)16-34-4/h6-7,14,17H,5,8-13,15-16H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364096
PNG
(CHEMBL1950922)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C20H29N3O3S/c1-5-27(25,26)16-6-7-18-17(12-16)21-19(20(2,3)4)23(18)13-15-8-10-22(14-24)11-9-15/h6-7,12,14-15H,5,8-11,13H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364097
PNG
(CHEMBL1950923)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C21H31N3O3S/c1-6-28(26,27)17-7-8-19-18(13-17)22-20(21(3,4)5)24(19)14-16-9-11-23(12-10-16)15(2)25/h7-8,13,16H,6,9-12,14H2,1-5H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364087
PNG
(CHEMBL1950834)
Show SMILES CC(=O)NCCCCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C29H40N4O4S/c1-21(34)30-14-7-5-6-8-23-18-25(11-15-31-23)38(35,36)24-9-10-27-26(19-24)32-28(29(2,3)4)33(27)20-22-12-16-37-17-13-22/h9-11,15,18-19,22H,5-8,12-14,16-17,20H2,1-4H3,(H,30,34)
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n/an/an/an/a 5.60n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364095
PNG
(CHEMBL1950921)
Show SMILES COCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C24H34F3N3O4S/c1-23(2,3)22-28-19-14-18(35(32,33)13-5-10-24(25,26)27)6-7-20(19)30(22)15-17-8-11-29(12-9-17)21(31)16-34-4/h6-7,14,17H,5,8-13,15-16H2,1-4H3
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n/an/an/an/a 1.59E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364085
PNG
(CHEMBL1950832)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)c1ccnc(OCCCO)c1
Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-13-32-14-9-18)34(30,31)20-7-10-26-23(16-20)33-12-4-11-29/h5-7,10,15-16,18,29H,4,8-9,11-14,17H2,1-3H3
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n/an/an/an/a 3.63E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364080
PNG
(CHEMBL401610)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H29F3N2O3S/c1-20(2,3)19-25-17-13-16(30(27,28)12-4-9-21(22,23)24)5-6-18(17)26(19)14-15-7-10-29-11-8-15/h5-6,13,15H,4,7-12,14H2,1-3H3
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n/an/an/an/a 1.10n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364089
PNG
(CHEMBL1950836)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCNCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H30F3N3O2S/c1-20(2,3)19-26-17-13-16(30(28,29)12-4-9-21(22,23)24)5-6-18(17)27(19)14-15-7-10-25-11-8-15/h5-6,13,15,25H,4,7-12,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364104
PNG
(CHEMBL1950930)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCO)C(C)(C)C)CC1
Show InChI InChI=1S/C22H33N3O4S/c1-16(27)24-10-8-17(9-11-24)15-25-20-7-6-18(30(28,29)13-5-12-26)14-19(20)23-21(25)22(2,3)4/h6-7,14,17,26H,5,8-13,15H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364085
PNG
(CHEMBL1950832)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)c1ccnc(OCCCO)c1
Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-13-32-14-9-18)34(30,31)20-7-10-26-23(16-20)33-12-4-11-29/h5-7,10,15-16,18,29H,4,8-9,11-14,17H2,1-3H3
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n/an/an/an/a 1.20n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364101
PNG
(CHEMBL1950927)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCS(=O)(=O)CC1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C21H30N2O4S2/c1-21(2,3)20-22-18-12-17(29(26,27)14-16-4-5-16)6-7-19(18)23(20)13-15-8-10-28(24,25)11-9-15/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3
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n/an/an/an/a 8.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364088
PNG
(CHEMBL1950835)
Show SMILES CC(=O)NCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H34N4O4S/c1-18(31)27-11-7-20-15-22(8-12-28-20)35(32,33)21-5-6-24-23(16-21)29-25(26(2,3)4)30(24)17-19-9-13-34-14-10-19/h5-6,8,12,15-16,19H,7,9-11,13-14,17H2,1-4H3,(H,27,31)
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n/an/an/an/a 8.32E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364090
PNG
(CHEMBL1950837)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3S/c1-21(2,3)20-26-18-13-17(32(30,31)12-4-9-22(23,24)25)5-6-19(18)28(20)14-16-7-10-27(15-29)11-8-16/h5-6,13,15-16H,4,7-12,14H2,1-3H3
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n/an/an/an/a 5.62E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364102
PNG
(CHEMBL1950928)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)C2CCCC2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H35N3O3S/c1-17(28)26-13-11-18(12-14-26)16-27-22-10-9-20(31(29,30)19-7-5-6-8-19)15-21(22)25-23(27)24(2,3)4/h9-10,15,18-19H,5-8,11-14,16H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364081
PNG
(CHEMBL411504)
Show SMILES CCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C24H31N3O4S/c1-5-31-22-15-19(8-11-25-22)32(28,29)18-6-7-21-20(14-18)26-23(24(2,3)4)27(21)16-17-9-12-30-13-10-17/h6-8,11,14-15,17H,5,9-10,12-13,16H2,1-4H3
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n/an/an/an/a 0.300n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364086
PNG
(CHEMBL1950833)
Show SMILES COCCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H35N3O4S/c1-26(2,3)25-28-23-17-21(7-8-24(23)29(25)18-19-10-14-33-15-11-19)34(30,31)22-9-12-27-20(16-22)6-5-13-32-4/h7-9,12,16-17,19H,5-6,10-11,13-15,18H2,1-4H3
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n/an/an/an/a 1.10n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364096
PNG
(CHEMBL1950922)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C20H29N3O3S/c1-5-27(25,26)16-6-7-18-17(12-16)21-19(20(2,3)4)23(18)13-15-8-10-22(14-24)11-9-15/h6-7,12,14-15H,5,8-11,13H2,1-4H3
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n/an/an/an/a 23n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364099
PNG
(CHEMBL1950925)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C22H31N3O3S/c1-22(2,3)21-23-19-12-18(29(27,28)14-17-4-5-17)6-7-20(19)25(21)13-16-8-10-24(15-26)11-9-16/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3
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n/an/an/an/a 2.20n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364102
PNG
(CHEMBL1950928)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)C2CCCC2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H35N3O3S/c1-17(28)26-13-11-18(12-14-26)16-27-22-10-9-20(31(29,30)19-7-5-6-8-19)15-21(22)25-23(27)24(2,3)4/h9-10,15,18-19H,5-8,11-14,16H2,1-4H3
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n/an/an/an/a 3.20n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364081
PNG
(CHEMBL411504)
Show SMILES CCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C24H31N3O4S/c1-5-31-22-15-19(8-11-25-22)32(28,29)18-6-7-21-20(14-18)26-23(24(2,3)4)27(21)16-17-9-12-30-13-10-17/h6-8,11,14-15,17H,5,9-10,12-13,16H2,1-4H3
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n/an/an/an/a 1.28E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364087
PNG
(CHEMBL1950834)
Show SMILES CC(=O)NCCCCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C29H40N4O4S/c1-21(34)30-14-7-5-6-8-23-18-25(11-15-31-23)38(35,36)24-9-10-27-26(19-24)32-28(29(2,3)4)33(27)20-22-12-16-37-17-13-22/h9-11,15,18-19,22H,5-8,12-14,16-17,20H2,1-4H3,(H,30,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364093
PNG
(CHEMBL1950840)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C(=O)C(F)(F)F)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C23H29F6N3O3S/c1-21(2,3)19-30-17-13-16(36(34,35)12-4-9-22(24,25)26)5-6-18(17)32(19)14-15-7-10-31(11-8-15)20(33)23(27,28)29/h5-6,13,15H,4,7-12,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364084
PNG
(CHEMBL1950831)
Show SMILES COCCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-11-32-12-9-18)34(29,30)20-7-10-26-23(16-20)33-14-13-31-4/h5-7,10,15-16,18H,8-9,11-14,17H2,1-4H3
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n/an/an/an/a 1.30n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364089
PNG
(CHEMBL1950836)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCNCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H30F3N3O2S/c1-20(2,3)19-26-17-13-16(30(28,29)12-4-9-21(22,23)24)5-6-18(17)27(19)14-15-7-10-25-11-8-15/h5-6,13,15,25H,4,7-12,14H2,1-3H3
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n/an/an/an/a 240n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364092
PNG
(CHEMBL1950839)
Show SMILES CCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C24H34F3N3O3S/c1-5-21(31)29-12-9-17(10-13-29)16-30-20-8-7-18(15-19(20)28-22(30)23(2,3)4)34(32,33)14-6-11-24(25,26)27/h7-8,15,17H,5-6,9-14,16H2,1-4H3
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n/an/an/an/a 19n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364100
PNG
(CHEMBL1950926)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CC2CC2)C(C)(C)C)CC1
Show InChI InChI=1S/C23H33N3O3S/c1-16(27)25-11-9-17(10-12-25)14-26-21-8-7-19(30(28,29)15-18-5-6-18)13-20(21)24-22(26)23(2,3)4/h7-8,13,17-18H,5-6,9-12,14-15H2,1-4H3
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n/an/an/an/a 8.20n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364088
PNG
(CHEMBL1950835)
Show SMILES CC(=O)NCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H34N4O4S/c1-18(31)27-11-7-20-15-22(8-12-28-20)35(32,33)21-5-6-24-23(16-21)29-25(26(2,3)4)30(24)17-19-9-13-34-14-10-19/h5-6,8,12,15-16,19H,7,9-11,13-14,17H2,1-4H3,(H,27,31)
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n/an/an/an/a 1.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364094
PNG
(CHEMBL1950920)
Show SMILES COC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C23H32F3N3O4S/c1-22(2,3)20-27-18-14-17(34(31,32)13-5-10-23(24,25)26)6-7-19(18)29(20)15-16-8-11-28(12-9-16)21(30)33-4/h6-7,14,16H,5,8-13,15H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364098
PNG
(CHEMBL1950924)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCS(=O)(=O)CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C19H28N2O4S2/c1-5-27(24,25)15-6-7-17-16(12-15)20-18(19(2,3)4)21(17)13-14-8-10-26(22,23)11-9-14/h6-7,12,14H,5,8-11,13H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364078
PNG
(CHEMBL1950933)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)c1nccs1
Show InChI InChI=1S/C21H26N4O3S2/c1-21(2,3)19-23-17-12-16(30(27,28)20-22-8-11-29-20)4-5-18(17)25(19)13-15-6-9-24(14-26)10-7-15/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3
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n/an/an/an/a 321n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364079
PNG
(CHEMBL1950934)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2nccs2)C(C)(C)C)CC1
Show InChI InChI=1S/C22H28N4O3S2/c1-15(27)25-10-7-16(8-11-25)14-26-19-6-5-17(31(28,29)21-23-9-12-30-21)13-18(19)24-20(26)22(2,3)4/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3
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n/an/an/an/a 3.43E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364080
PNG
(CHEMBL401610)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H29F3N2O3S/c1-20(2,3)19-25-17-13-16(30(27,28)12-4-9-21(22,23)24)5-6-18(17)26(19)14-15-7-10-29-11-8-15/h5-6,13,15H,4,7-12,14H2,1-3H3
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n/an/an/an/a 320n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364090
PNG
(CHEMBL1950837)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3S/c1-21(2,3)20-26-18-13-17(32(30,31)12-4-9-22(23,24)25)5-6-19(18)28(20)14-16-7-10-27(15-29)11-8-16/h5-6,13,15-16H,4,7-12,14H2,1-3H3
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n/an/an/an/a 2.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364094
PNG
(CHEMBL1950920)
Show SMILES COC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
Show InChI InChI=1S/C23H32F3N3O4S/c1-22(2,3)20-27-18-14-17(34(31,32)13-5-10-23(24,25)26)6-7-19(18)29(20)15-16-8-11-28(12-9-16)21(30)33-4/h6-7,14,16H,5,8-13,15H2,1-4H3
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n/an/an/an/a 17n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364097
PNG
(CHEMBL1950923)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C21H31N3O3S/c1-6-28(26,27)17-7-8-19-18(13-17)22-20(21(3,4)5)24(19)14-16-9-11-23(12-10-16)15(2)25/h7-8,13,16H,6,9-12,14H2,1-5H3
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n/an/an/an/a 8.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364098
PNG
(CHEMBL1950924)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CCS(=O)(=O)CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C19H28N2O4S2/c1-5-27(24,25)15-6-7-17-16(12-15)20-18(19(2,3)4)21(17)13-14-8-10-26(22,23)11-9-14/h6-7,12,14H,5,8-11,13H2,1-4H3
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n/an/an/an/a 28n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364103
PNG
(CHEMBL1950929)
Show SMILES COCCS(=O)(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C22H33N3O4S/c1-16(26)24-10-8-17(9-11-24)15-25-20-7-6-18(30(27,28)13-12-29-5)14-19(20)23-21(25)22(2,3)4/h6-7,14,17H,8-13,15H2,1-5H3
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n/an/an/an/a 26n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364105
PNG
(CHEMBL1950931)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2ccc(F)cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C25H30FN3O3S/c1-17(30)28-13-11-18(12-14-28)16-29-23-10-9-21(15-22(23)27-24(29)25(2,3)4)33(31,32)20-7-5-19(26)6-8-20/h5-10,15,18H,11-14,16H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%