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PubMed code 24461289

Compile data set for download or QSAR
Found 46 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))
BDBM50005282
PNG
(CHEMBL3114534)
Show SMILES OC(c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)n2ccccc12)c1cccnc1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005282
PNG
(CHEMBL3114534)
Show SMILES OC(c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)n2ccccc12)c1cccnc1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
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n/an/a 3.88E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005276
PNG
(CHEMBL3114518)
Show SMILES Fc1cccnc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H15FN4O/c21-15-9-5-11-22-17(15)12-23-20(26)19-24-16-10-4-8-14(18(16)25-19)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)(H,24,25)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005278
PNG
(CHEMBL3114516)
Show SMILES Clc1ccccc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-5-4-9-15(17)13-23-21(26)20-24-18-12-6-10-16(19(18)25-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005280
PNG
(CHEMBL3114514)
Show SMILES Fc1ccccc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H16FN3O/c22-17-11-5-4-9-15(17)13-23-21(26)20-24-18-12-6-10-16(19(18)25-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005288
PNG
(CHEMBL3114529)
Show SMILES OCC1(CCCCC1)NC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-14-21(12-5-2-6-13-21)24-20(26)19-22-17-11-7-10-16(18(17)23-19)15-8-3-1-4-9-15/h1,3-4,7-11,25H,2,5-6,12-14H2,(H,22,23)(H,24,26)
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n/an/an/an/a 236n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005275
PNG
(CHEMBL3114519)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN3O/c1-2-27-20-14-8-12-18(16-9-4-3-5-10-16)21(20)26-22(27)23(28)25-15-17-11-6-7-13-19(17)24/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a 9.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005281
PNG
(CHEMBL3114513)
Show SMILES Clc1cccc(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C21H16ClN3O/c22-16-9-4-6-14(12-16)13-23-21(26)20-24-18-11-5-10-17(19(18)25-20)15-7-2-1-3-8-15/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a 165n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005287
PNG
(CHEMBL3114530)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C21H25N3O/c1-5-24-17-13-9-12-16(15-10-7-6-8-11-15)18(17)23-19(24)20(25)22-14-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)
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n/an/an/an/a 490n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005272
PNG
(CHEMBL3114522)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C24H20N4O/c1-2-28-21-10-6-9-20(19-7-4-3-5-8-19)22(21)27-23(28)24(29)26-16-18-13-11-17(15-25)12-14-18/h3-14H,2,16H2,1H3,(H,26,29)
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n/an/an/an/a 84n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005277
PNG
(CHEMBL3114517)
Show SMILES O=C(NCc1ccccc1)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c25-21(22-14-15-8-3-1-4-9-15)20-23-18-13-7-12-17(19(18)24-20)16-10-5-2-6-11-16/h1-13H,14H2,(H,22,25)(H,23,24)
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n/an/an/an/a 991n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005285
PNG
(CHEMBL3114531)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3n2CC(F)(F)F)-c2ccccc2)CCCCC1
Show InChI InChI=1S/C24H26F3N3O2/c25-24(26,27)15-30-19-11-7-10-18(17-8-3-1-4-9-17)20(19)29-21(30)22(32)28-14-23(16-31)12-5-2-6-13-23/h1,3-4,7-11,31H,2,5-6,12-16H2,(H,28,32)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005271
PNG
(CHEMBL3114523)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1cncnc1
Show InChI InChI=1S/C21H19N5O/c1-2-26-18-10-6-9-17(16-7-4-3-5-8-16)19(18)25-20(26)21(27)24-13-15-11-22-14-23-12-15/h3-12,14H,2,13H2,1H3,(H,24,27)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005284
PNG
(CHEMBL3114532)
Show SMILES CC(C)(C)CNC(=O)c1nc2c(cccc2n1CC(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C21H22F3N3O/c1-20(2,3)12-25-19(28)18-26-17-15(14-8-5-4-6-9-14)10-7-11-16(17)27(18)13-21(22,23)24/h4-11H,12-13H2,1-3H3,(H,25,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005285
PNG
(CHEMBL3114531)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3n2CC(F)(F)F)-c2ccccc2)CCCCC1
Show InChI InChI=1S/C24H26F3N3O2/c25-24(26,27)15-30-19-11-7-10-18(17-8-3-1-4-9-17)20(19)29-21(30)22(32)28-14-23(16-31)12-5-2-6-13-23/h1,3-4,7-11,31H,2,5-6,12-16H2,(H,28,32)
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n/an/an/an/a 1.97E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005286
PNG
(CHEMBL3112609)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCC1(CO)CCCC1
Show InChI InChI=1S/C23H27N3O2/c1-2-26-19-12-8-11-18(17-9-4-3-5-10-17)20(19)25-21(26)22(28)24-15-23(16-27)13-6-7-14-23/h3-5,8-12,27H,2,6-7,13-16H2,1H3,(H,24,28)
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005271
PNG
(CHEMBL3114523)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1cncnc1
Show InChI InChI=1S/C21H19N5O/c1-2-26-18-10-6-9-17(16-7-4-3-5-8-16)19(18)25-20(26)21(27)24-13-15-11-22-14-23-12-15/h3-12,14H,2,13H2,1H3,(H,24,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005276
PNG
(CHEMBL3114518)
Show SMILES Fc1cccnc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H15FN4O/c21-15-9-5-11-22-17(15)12-23-20(26)19-24-16-10-4-8-14(18(16)25-19)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)(H,24,25)
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n/an/an/an/a 1.44E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005273
PNG
(CHEMBL3114521)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C23H20FN3O/c1-2-27-20-14-8-12-18(16-9-4-3-5-10-16)21(20)26-22(27)23(28)25-15-17-11-6-7-13-19(17)24/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005277
PNG
(CHEMBL3114517)
Show SMILES O=C(NCc1ccccc1)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c25-21(22-14-15-8-3-1-4-9-15)20-23-18-13-7-12-17(19(18)24-20)16-10-5-2-6-11-16/h1-13H,14H2,(H,22,25)(H,23,24)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005290
PNG
(CHEMBL3114527)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C21H23N3O2/c25-14-21(11-4-5-12-21)13-22-20(26)19-23-17-10-6-9-16(18(17)24-19)15-7-2-1-3-8-15/h1-3,6-10,25H,4-5,11-14H2,(H,22,26)(H,23,24)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005291
PNG
(CHEMBL3114526)
Show SMILES CC(C)(C)CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)12-20-18(23)17-21-15-11-7-10-14(16(15)22-17)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005220
PNG
(CHEMBL3114525)
Show SMILES OCC(O)CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H17N3O3/c21-10-12(22)9-18-17(23)16-19-14-8-4-7-13(15(14)20-16)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,18,23)(H,19,20)
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n/an/an/an/a 6.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005274
PNG
(CHEMBL3114520)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C23H20ClN3O/c1-2-27-20-13-7-12-19(17-9-4-3-5-10-17)21(20)26-22(27)23(28)25-15-16-8-6-11-18(24)14-16/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005279
PNG
(CHEMBL3114515)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)16-9-4-6-14(12-16)13-26-21(29)20-27-18-11-5-10-17(19(18)28-20)15-7-2-1-3-8-15/h1-12H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a 256n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005280
PNG
(CHEMBL3114514)
Show SMILES Fc1ccccc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H16FN3O/c22-17-11-5-4-9-15(17)13-23-21(26)20-24-18-12-6-10-16(19(18)25-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a 256n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005287
PNG
(CHEMBL3114530)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C21H25N3O/c1-5-24-17-13-9-12-16(15-10-7-6-8-11-15)18(17)23-19(24)20(25)22-14-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)
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n/an/an/an/a 913n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005289
PNG
(CHEMBL3114528)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCCC1
Show InChI InChI=1S/C22H25N3O2/c26-15-22(12-5-2-6-13-22)14-23-21(27)20-24-18-11-7-10-17(19(18)25-20)16-8-3-1-4-9-16/h1,3-4,7-11,26H,2,5-6,12-15H2,(H,23,27)(H,24,25)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005281
PNG
(CHEMBL3114513)
Show SMILES Clc1cccc(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C21H16ClN3O/c22-16-9-4-6-14(12-16)13-23-21(26)20-24-18-11-5-10-17(19(18)25-20)15-7-2-1-3-8-15/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005289
PNG
(CHEMBL3114528)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCCC1
Show InChI InChI=1S/C22H25N3O2/c26-15-22(12-5-2-6-13-22)14-23-21(27)20-24-18-11-7-10-17(19(18)25-20)16-8-3-1-4-9-16/h1,3-4,7-11,26H,2,5-6,12-15H2,(H,23,27)(H,24,25)
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n/an/an/an/a 43n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005290
PNG
(CHEMBL3114527)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C21H23N3O2/c25-14-21(11-4-5-12-21)13-22-20(26)19-23-17-10-6-9-16(18(17)24-19)15-7-2-1-3-8-15/h1-3,6-10,25H,4-5,11-14H2,(H,22,26)(H,23,24)
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005241
PNG
(CHEMBL3114524)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(cccc2[nH]1)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H25N3O/c28-23(27-24-12-15-9-16(13-24)11-17(10-15)14-24)22-25-20-8-4-7-19(21(20)26-22)18-5-2-1-3-6-18/h1-8,15-17H,9-14H2,(H,25,26)(H,27,28)
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005274
PNG
(CHEMBL3114520)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C23H20ClN3O/c1-2-27-20-13-7-12-19(17-9-4-3-5-10-17)21(20)26-22(27)23(28)25-15-16-8-6-11-18(24)14-16/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005275
PNG
(CHEMBL3114519)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN3O/c1-2-27-20-14-8-12-18(16-9-4-3-5-10-16)21(20)26-22(27)23(28)25-15-17-11-6-7-13-19(17)24/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a 913n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005283
PNG
(CHEMBL3114533)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3n2CC(F)(F)F)-c2ccccc2)CCCC1
Show InChI InChI=1S/C23H24F3N3O2/c24-23(25,26)14-29-18-10-6-9-17(16-7-2-1-3-8-16)19(18)28-20(29)21(31)27-13-22(15-30)11-4-5-12-22/h1-3,6-10,30H,4-5,11-15H2,(H,27,31)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005278
PNG
(CHEMBL3114516)
Show SMILES Clc1ccccc1CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-5-4-9-15(17)13-23-21(26)20-24-18-12-6-10-16(19(18)25-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/an/an/a 443n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005283
PNG
(CHEMBL3114533)
Show SMILES OCC1(CNC(=O)c2nc3c(cccc3n2CC(F)(F)F)-c2ccccc2)CCCC1
Show InChI InChI=1S/C23H24F3N3O2/c24-23(25,26)14-29-18-10-6-9-17(16-7-2-1-3-8-16)19(18)28-20(29)21(31)27-13-22(15-30)11-4-5-12-22/h1-3,6-10,30H,4-5,11-15H2,(H,27,31)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005286
PNG
(CHEMBL3112609)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCC1(CO)CCCC1
Show InChI InChI=1S/C23H27N3O2/c1-2-26-19-12-8-11-18(17-9-4-3-5-10-17)20(19)25-21(26)22(28)24-15-23(16-27)13-6-7-14-23/h3-5,8-12,27H,2,6-7,13-16H2,1H3,(H,24,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005220
PNG
(CHEMBL3114525)
Show SMILES OCC(O)CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H17N3O3/c21-10-12(22)9-18-17(23)16-19-14-8-4-7-13(15(14)20-16)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,18,23)(H,19,20)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005279
PNG
(CHEMBL3114515)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)16-9-4-6-14(12-16)13-26-21(29)20-27-18-11-5-10-17(19(18)28-20)15-7-2-1-3-8-15/h1-12H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005291
PNG
(CHEMBL3114526)
Show SMILES CC(C)(C)CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)12-20-18(23)17-21-15-11-7-10-14(16(15)22-17)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005273
PNG
(CHEMBL3114521)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C23H20FN3O/c1-2-27-20-14-8-12-18(16-9-4-3-5-10-16)21(20)26-22(27)23(28)25-15-17-11-6-7-13-19(17)24/h3-14H,2,15H2,1H3,(H,25,28)
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n/an/an/an/a 45n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005284
PNG
(CHEMBL3114532)
Show SMILES CC(C)(C)CNC(=O)c1nc2c(cccc2n1CC(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C21H22F3N3O/c1-20(2,3)12-25-19(28)18-26-17-15(14-8-5-4-6-9-14)10-7-11-16(17)27(18)13-21(22,23)24/h4-11H,12-13H2,1-3H3,(H,25,28)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005288
PNG
(CHEMBL3114529)
Show SMILES OCC1(CCCCC1)NC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-14-21(12-5-2-6-13-21)24-20(26)19-22-17-11-7-10-16(18(17)23-19)15-8-3-1-4-9-15/h1,3-4,7-11,25H,2,5-6,12-14H2,(H,22,23)(H,24,26)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005241
PNG
(CHEMBL3114524)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(cccc2[nH]1)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H25N3O/c28-23(27-24-12-15-9-16(13-24)11-17(10-15)14-24)22-25-20-8-4-7-19(21(20)26-22)18-5-2-1-3-6-18/h1-8,15-17H,9-14H2,(H,25,26)(H,27,28)
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n/an/an/an/a 123n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005272
PNG
(CHEMBL3114522)
Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C24H20N4O/c1-2-28-21-10-6-9-20(19-7-4-3-5-8-19)22(21)27-23(28)24(29)26-16-18-13-11-17(15-25)12-14-18/h3-14H,2,16H2,1H3,(H,26,29)
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n/an/an/an/a>1.70E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%