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PubMed code 21334892

Compile data set for download or QSAR
Found 39 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))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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0.398n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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0.794n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.933n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418210
PNG
(CHEMBL1760664)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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4.37n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418212
PNG
(CHEMBL1760663)
Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30)
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5.01n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418213
PNG
(CHEMBL1760661)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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5.5n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418211
PNG
(CHEMBL1760662)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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7.59n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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851n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418210
PNG
(CHEMBL1760664)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418222
PNG
(CHEMBL1760652)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)9-18(15)12-30-20-7-5-16(11-28)8-17(20)10-21(30)22(32)29-13-23(2,3)14-31/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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n/an/a 0.513n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418221
PNG
(CHEMBL1760653)
Show SMILES Cc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H24ClN3O2/c1-15-4-6-19(24)9-18(15)12-27-20-7-5-16(11-25)8-17(20)10-21(27)22(29)26-13-23(2,3)14-28/h4-10,28H,12-14H2,1-3H3,(H,26,29)
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n/an/a 0.575n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418220
PNG
(CHEMBL1760654)
Show SMILES Cc1ccc(C)c(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1
Show InChI InChI=1S/C24H27N3O2/c1-16-5-6-17(2)20(9-16)13-27-21-8-7-18(12-25)10-19(21)11-22(27)23(29)26-14-24(3,4)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29)
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n/an/a 0.631n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418223
PNG
(CHEMBL1760651)
Show SMILES COc1ccc(C)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H27N3O3/c1-16-5-8-22(30-4)19(9-16)13-27-20-7-6-17(12-25)10-18(20)11-21(27)23(29)26-14-24(2,3)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29)
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n/an/a 0.759n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418224
PNG
(CHEMBL1760650)
Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H24BrN3O3/c1-23(2,14-28)13-26-22(29)20-10-16-8-15(11-25)4-6-19(16)27(20)12-17-9-18(24)5-7-21(17)30-3/h4-10,28H,12-14H2,1-3H3,(H,26,29)
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n/an/a 0.776n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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n/an/a 1.17n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418217
PNG
(CHEMBL1760657)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O3/c1-33-21-5-3-18(24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32)
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n/an/a 1.32n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418216
PNG
(CHEMBL1760658)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(C)(C)C
Show InChI InChI=1S/C27H31N3O3/c1-26(2,3)21-6-8-24(33-4)20(12-21)15-30-22-7-5-18(14-28)11-19(22)13-23(30)25(32)29-16-27(17-31)9-10-27/h5-8,11-13,31H,9-10,15-17H2,1-4H3,(H,29,32)
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n/an/a 1.48n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418206
PNG
(CHEMBL1760668)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N3O3/c1-34-22-6-4-19(25(26,27)28)12-18(22)15-31-20-5-3-16(14-29)11-17(20)13-21(31)23(32)30-10-9-24(33)7-2-8-24/h3-6,11-13,33H,2,7-10,15H2,1H3,(H,30,32)
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n/an/a 1.48n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418219
PNG
(CHEMBL1760655)
Show SMILES CCCOc1cccc(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1
Show InChI InChI=1S/C25H29N3O3/c1-4-10-31-21-7-5-6-19(12-21)15-28-22-9-8-18(14-26)11-20(22)13-23(28)24(30)27-16-25(2,3)17-29/h5-9,11-13,29H,4,10,15-17H2,1-3H3,(H,27,30)
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n/an/a 1.55n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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n/an/a 1.82n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418225
PNG
(CHEMBL1760649)
Show SMILES COc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H24ClN3O3/c1-23(2,14-28)13-26-22(29)20-10-16-8-15(11-25)4-6-19(16)27(20)12-17-9-18(24)5-7-21(17)30-3/h4-10,28H,12-14H2,1-3H3,(H,26,29)
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n/an/a 2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418215
PNG
(CHEMBL1760659)
Show SMILES COc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CCC1
Show InChI InChI=1S/C24H24ClN3O3/c1-31-22-6-4-19(25)10-18(22)13-28-20-5-3-16(12-26)9-17(20)11-21(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30)
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n/an/a 2.57n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418205
PNG
(CHEMBL1760669)
Show SMILES OC1(CCNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCC1
Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)33-19-4-1-3-17(12-19)15-30-20-6-5-16(14-28)11-18(20)13-21(30)22(31)29-10-9-23(32)7-2-8-23/h1,3-6,11-13,32H,2,7-10,15H2,(H,29,31)
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n/an/a 2.63n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418214
PNG
(CHEMBL1760660)
Show SMILES Cc1ccc(F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CCC1
Show InChI InChI=1S/C24H24FN3O2/c1-16-3-5-20(25)10-19(16)13-28-21-6-4-17(12-26)9-18(21)11-22(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30)
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n/an/a 4.90n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418218
PNG
(CHEMBL1760656)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1
Show InChI InChI=1S/C24H22F3N3O4/c1-33-21-5-3-18(34-24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32)
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n/an/a 5.13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418203
PNG
(CHEMBL1760644)
Show SMILES CC(O)C1(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCCC1
Show InChI InChI=1S/C26H26F3N3O3/c1-17(33)25(9-2-3-10-25)16-31-24(34)23-13-20-11-18(14-30)7-8-22(20)32(23)15-19-5-4-6-21(12-19)35-26(27,28)29/h4-8,11-13,17,33H,2-3,9-10,15-16H2,1H3,(H,31,34)
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n/an/a 5.13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418210
PNG
(CHEMBL1760664)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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n/an/a 5.13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418226
PNG
(CHEMBL1760648)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cc(Cl)cc(Cl)c1)C#N
Show InChI InChI=1S/C22H21Cl2N3O2/c1-22(2,13-28)12-26-21(29)20-8-16-5-14(10-25)3-4-19(16)27(20)11-15-6-17(23)9-18(24)7-15/h3-9,28H,11-13H2,1-2H3,(H,26,29)
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n/an/a 5.37n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418207
PNG
(CHEMBL1760667)
Show SMILES OC(CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H16F9N3O3/c24-21(25,26)20(37,22(27,28)29)6-7-34-19(36)18-10-15-8-13(11-33)4-5-17(15)35(18)12-14-2-1-3-16(9-14)38-23(30,31)32/h1-5,8-10,37H,6-7,12H2,(H,34,36)
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n/an/a 6.03n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418208
PNG
(CHEMBL1760666)
Show SMILES OC(CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O3/c23-21(24,25)19(32)6-7-30-20(33)18-10-15-8-13(11-29)4-5-17(15)31(18)12-14-2-1-3-16(9-14)34-22(26,27)28/h1-5,8-10,19,32H,6-7,12H2,(H,30,33)
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n/an/a 8.13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418227
PNG
(CHEMBL1760647)
Show SMILES CCOc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C25H26F3N3O4/c1-4-34-22-8-6-19(35-25(26,27)28)10-18(22)13-31-20-7-5-16(12-29)9-17(20)11-21(31)23(33)30-14-24(2,3)15-32/h5-11,32H,4,13-15H2,1-3H3,(H,30,33)
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n/an/a 8.32n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418209
PNG
(CHEMBL1760665)
Show SMILES CC(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C22H20F3N3O3/c1-14(29)7-8-27-21(30)20-11-17-9-15(12-26)5-6-19(17)28(20)13-16-3-2-4-18(10-16)31-22(23,24)25/h2-6,9-11,14,29H,7-8,13H2,1H3,(H,27,30)
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n/an/a 8.91n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418204
PNG
(CHEMBL1760670)
Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCCO
Show InChI InChI=1S/C21H20BrN3O3/c1-28-20-6-4-17(22)10-16(20)13-25-18-5-3-14(12-23)9-15(18)11-19(25)21(27)24-7-2-8-26/h3-6,9-11,26H,2,7-8,13H2,1H3,(H,24,27)
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n/an/a 9.33n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 11.2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418211
PNG
(CHEMBL1760662)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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n/an/a 11.5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418212
PNG
(CHEMBL1760663)
Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30)
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n/an/a 13.5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418213
PNG
(CHEMBL1760661)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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n/an/a 22.4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%