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PubMed code 22959249

Compile data set for download or QSAR
Found 79 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))
BDBM50392283
PNG
(CHEMBL2153670)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392284
PNG
(CHEMBL2153672)
Show SMILES CC(C)(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22|
Show InChI InChI=1S/C28H29Cl2N5O3S/c1-28(2,3)25(26(31)36)32-27(34-39(37,38)22-15-13-21(30)14-16-22)35-17-23(18-7-5-4-6-8-18)24(33-35)19-9-11-20(29)12-10-19/h4-16,23,25H,17H2,1-3H3,(H2,31,36)(H,32,34)/t23?,25-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392283
PNG
(CHEMBL2153670)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392294
PNG
(CHEMBL2153763)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:25|
Show InChI InChI=1S/C28H30ClN5O4S/c1-18(2)25(27(30)35)31-28(33-39(36,37)23-11-7-10-22(16-23)38-3)34-17-24(19-8-5-4-6-9-19)26(32-34)20-12-14-21(29)15-13-20/h4-16,18,24-25H,17H2,1-3H3,(H2,30,35)(H,31,33)/t24?,25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392300
PNG
(CHEMBL2153772)
Show SMILES C[C@@H](O)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C29H30Cl2N6O6S/c1-17(39)25(28(41)33-24(16-38)27(32)40)34-29(36-44(42,43)22-13-11-21(31)12-14-22)37-15-23(18-5-3-2-4-6-18)26(35-37)19-7-9-20(30)10-8-19/h2-14,17,23-25,38-39H,15-16H2,1H3,(H2,32,40)(H,33,41)(H,34,36)/t17-,23?,24+,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392286
PNG
(CHEMBL2153674)
Show SMILES C[C@@H](O)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C26H25Cl2N5O4S/c1-16(34)23(25(29)35)30-26(32-38(36,37)21-13-11-20(28)12-14-21)33-15-22(17-5-3-2-4-6-17)24(31-33)18-7-9-19(27)10-8-18/h2-14,16,22-23,34H,15H2,1H3,(H2,29,35)(H,30,32)/t16-,22?,23+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392298
PNG
(CHEMBL2153767)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C28H28Cl2N6O5S/c1-17(27(39)33-24(16-37)26(31)38)32-28(35-42(40,41)22-13-11-21(30)12-14-22)36-15-23(18-5-3-2-4-6-18)25(34-36)19-7-9-20(29)10-8-19/h2-14,17,23-24,37H,15-16H2,1H3,(H2,31,38)(H,32,35)(H,33,39)/t17-,23?,24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392285
PNG
(CHEMBL2153673)
Show SMILES NC(=O)[C@@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C1CCC1 |r,w:5.5,c:21|
Show InChI InChI=1S/C28H27Cl2N5O3S/c29-21-11-9-20(10-12-21)25-24(18-5-2-1-3-6-18)17-35(33-25)28(32-26(27(31)36)19-7-4-8-19)34-39(37,38)23-15-13-22(30)14-16-23/h1-3,5-6,9-16,19,24,26H,4,7-8,17H2,(H2,31,36)(H,32,34)/t24?,26-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392305
PNG
(CHEMBL2153666)
Show SMILES CC(C)(N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20|
Show InChI InChI=1S/C26H25Cl2N5O3S/c1-26(2,24(29)34)30-25(32-37(35,36)21-14-12-20(28)13-15-21)33-16-22(17-6-4-3-5-7-17)23(31-33)18-8-10-19(27)11-9-18/h3-15,22H,16H2,1-2H3,(H2,29,34)(H,30,32)
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n/an/a 8.5n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392296
PNG
(CHEMBL2153765)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)NCC(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C27H26Cl2N6O4S/c1-17(26(37)31-15-24(30)36)32-27(34-40(38,39)22-13-11-21(29)12-14-22)35-16-23(18-5-3-2-4-6-18)25(33-35)19-7-9-20(28)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,30,36)(H,31,37)(H,32,34)/t17-,23?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392288
PNG
(CHEMBL2153757)
Show SMILES NC(=O)[C@H](CO)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:7.7,c:23|
Show InChI InChI=1S/C25H23Cl2N5O4S/c26-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)14-32(30-23)25(29-22(15-33)24(28)34)31-37(35,36)20-12-10-19(27)11-13-20/h1-13,21-22,33H,14-15H2,(H2,28,34)(H,29,31)/t21?,22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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n/an/a 18n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392304
PNG
(CHEMBL2153665)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H23Cl2N5O3S/c1-16(24(28)33)29-25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,16,22H,15H2,1H3,(H2,28,33)(H,29,31)/t16-,22?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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n/an/a 22n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392295
PNG
(CHEMBL2153764)
Show SMILES NC(=O)CNC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:8.7,c:25|
Show InChI InChI=1S/C26H24Cl2N6O4S/c27-19-8-6-18(7-9-19)25-22(17-4-2-1-3-5-17)16-34(32-25)26(31-15-24(36)30-14-23(29)35)33-39(37,38)21-12-10-20(28)11-13-21/h1-13,22H,14-16H2,(H2,29,35)(H,30,36)(H,31,33)
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n/an/a 25n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392303
PNG
(CHEMBL2153664)
Show SMILES CC(CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20|
Show InChI InChI=1S/C26H25Cl2N5O3S/c1-17(25(29)34)15-30-26(32-37(35,36)22-13-11-21(28)12-14-22)33-16-23(18-5-3-2-4-6-18)24(31-33)19-7-9-20(27)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,29,34)(H,30,32)
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n/an/a 26n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392297
PNG
(CHEMBL2153766)
Show SMILES C[C@H](NC(=O)[C@H](C)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:8.8,c:24|
Show InChI InChI=1S/C28H28Cl2N6O4S/c1-17(26(31)37)32-27(38)18(2)33-28(35-41(39,40)23-14-12-22(30)13-15-23)36-16-24(19-6-4-3-5-7-19)25(34-36)20-8-10-21(29)11-9-20/h3-15,17-18,24H,16H2,1-2H3,(H2,31,37)(H,32,38)(H,33,35)/t17-,18-,24?/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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n/an/a 32n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392302
PNG
(CHEMBL2153663)
Show SMILES NC(=O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22|
Show InChI InChI=1S/C25H23Cl2N5O3S/c26-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-32(30-24)25(29-15-14-23(28)33)31-36(34,35)21-12-10-20(27)11-13-21/h1-13,22H,14-16H2,(H2,28,33)(H,29,31)
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n/an/a 32n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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n/an/a 46n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Inverse agonist activity against CB1 receptor expressed in human CHO cells assessed as effect on forskolin-stimulated cAMP level


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
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 51n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Inverse agonist activity against CB1 receptor expressed in human CHO cells assessed as effect on forskolin-stimulated cAMP level


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392289
PNG
(CHEMBL2153758)
Show SMILES NC(=O)[C@@H](O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:7.6,c:24|
Show InChI InChI=1S/C26H25Cl2N5O4S/c27-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-33(31-24)26(30-15-14-23(34)25(29)35)32-38(36,37)21-12-10-20(28)11-13-21/h1-13,22-23,34H,14-16H2,(H2,29,35)(H,30,32)/t22?,23-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392292
PNG
(CHEMBL2153761)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:23|
Show InChI InChI=1S/C26H26ClN5O4S/c1-17(25(28)33)29-26(31-37(34,35)22-14-12-21(36-2)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,17,23H,16H2,1-2H3,(H2,28,33)(H,29,31)/t17-,23?/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392280
PNG
(CHEMBL2153648)
Show SMILES CCOC(=O)c1ccc(cc1)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:16.17,c:22|
Show InChI InChI=1S/C26H25ClN4O4S/c1-3-35-25(32)20-11-15-22(16-12-20)36(33,34)30-26(28-2)31-17-23(18-7-5-4-6-8-18)24(29-31)19-9-13-21(27)14-10-19/h4-16,23H,3,17H2,1-2H3,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392309
PNG
(CHEMBL2153770)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(=O)NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29|
Show InChI InChI=1S/C30H33ClN6O5S/c1-19(2)27(29(39)33-17-26(32)38)34-30(36-43(40,41)24-15-13-23(42-3)14-16-24)37-18-25(20-7-5-4-6-8-20)28(35-37)21-9-11-22(31)12-10-21/h4-16,19,25,27H,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,36)/t25?,27-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392287
PNG
(CHEMBL2153675)
Show SMILES C[C@H](O)[C@@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C26H25Cl2N5O4S/c1-16(34)23(25(29)35)30-26(32-38(36,37)21-13-11-20(28)12-14-21)33-15-22(17-5-3-2-4-6-17)24(31-33)18-7-9-19(27)10-8-18/h2-14,16,22-23,34H,15H2,1H3,(H2,29,35)(H,30,32)/t16-,22?,23+/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392290
PNG
(CHEMBL2153759)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:22|
Show InChI InChI=1S/C25H24ClN5O4S/c1-35-20-11-13-21(14-12-20)36(33,34)30-25(28-15-23(27)32)31-16-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50138921
PNG
(CHEMBL158138 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:19|
Show InChI InChI=1S/C24H23ClN4O3S/c1-26-24(28-33(30,31)21-14-12-20(32-2)13-15-21)29-16-22(17-6-4-3-5-7-17)23(27-29)18-8-10-19(25)11-9-18/h3-15,22H,16H2,1-2H3,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392306
PNG
(CHEMBL2153667)
Show SMILES NC(=O)C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22|
Show InChI InChI=1S/C26H24Cl2N6O4S/c27-18-8-6-17(7-9-18)24-21(16-4-2-1-3-5-16)15-34(32-24)26(31-22(25(30)36)14-23(29)35)33-39(37,38)20-12-10-19(28)11-13-20/h1-13,21-22H,14-15H2,(H2,29,35)(H2,30,36)(H,31,33)/t21?,22-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392308
PNG
(CHEMBL2153769)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)NCC(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C29H30Cl2N6O4S/c1-18(2)26(28(39)33-16-25(32)38)34-29(36-42(40,41)23-14-12-22(31)13-15-23)37-17-24(19-6-4-3-5-7-19)27(35-37)20-8-10-21(30)11-9-20/h3-15,18,24,26H,16-17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,36)/t24?,26-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392299
PNG
(CHEMBL2153768)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29|
Show InChI InChI=1S/C29H31ClN6O6S/c1-18(28(39)33-25(17-37)27(31)38)32-29(35-43(40,41)23-14-12-22(42-2)13-15-23)36-16-24(19-6-4-3-5-7-19)26(34-36)20-8-10-21(30)11-9-20/h3-15,18,24-25,37H,16-17H2,1-2H3,(H2,31,38)(H,32,35)(H,33,39)/t18-,24?,25-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392291
PNG
(CHEMBL2153760)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H22ClN5O4S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-30(28-23)24(27-14-22(26)32)29-35(33,34)20-12-10-19(31)11-13-20/h1-13,21,31H,14-15H2,(H2,26,32)(H,27,29)
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n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392310
PNG
(CHEMBL2153771)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](C)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C30H32Cl2N6O4S/c1-18(2)26(29(40)34-19(3)28(33)39)35-30(37-43(41,42)24-15-13-23(32)14-16-24)38-17-25(20-7-5-4-6-8-20)27(36-38)21-9-11-22(31)12-10-21/h4-16,18-19,25-26H,17H2,1-3H3,(H2,33,39)(H,34,40)(H,35,37)/t19-,25?,26-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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n/an/a 139n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Inverse agonist activity against CB1 receptor expressed in human CHO cells assessed as effect on forskolin-stimulated cAMP level


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392315
PNG
(CHEMBL2153655)
Show SMILES CCOC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:17.18,c:23|
Show InChI InChI=1S/C26H26ClN5O4S/c1-3-36-26(33)29-21-13-15-22(16-14-21)37(34,35)31-25(28-2)32-17-23(18-7-5-4-6-8-18)24(30-32)19-9-11-20(27)12-10-19/h4-16,23H,3,17H2,1-2H3,(H,28,31)(H,29,33)
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n/an/a 300n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392293
PNG
(CHEMBL2153762)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(24(27)33)28-25(30-36(34,35)21-13-11-20(32)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(26)10-8-18/h2-14,16,22,32H,15H2,1H3,(H2,27,33)(H,28,30)/t16-,22?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392308
PNG
(CHEMBL2153769)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)NCC(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C29H30Cl2N6O4S/c1-18(2)26(28(39)33-16-25(32)38)34-29(36-42(40,41)23-14-12-22(31)13-15-23)37-17-24(19-6-4-3-5-7-19)27(35-37)20-8-10-21(30)11-9-20/h3-15,18,24,26H,16-17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,36)/t24?,26-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392305
PNG
(CHEMBL2153666)
Show SMILES CC(C)(N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20|
Show InChI InChI=1S/C26H25Cl2N5O3S/c1-26(2,24(29)34)30-25(32-37(35,36)21-14-12-20(28)13-15-21)33-16-22(17-6-4-3-5-7-17)23(31-33)18-8-10-19(27)11-9-18/h3-15,22H,16H2,1-2H3,(H2,29,34)(H,30,32)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392316
PNG
(CHEMBL2153657)
Show SMILES OC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H20Cl2N4O4S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-30(28-23)24(27-14-22(31)32)29-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H,27,29)(H,31,32)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392294
PNG
(CHEMBL2153763)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:25|
Show InChI InChI=1S/C28H30ClN5O4S/c1-18(2)25(27(30)35)31-28(33-39(36,37)23-11-7-10-22(16-23)38-3)34-17-24(19-8-5-4-6-9-19)26(32-34)20-12-14-21(29)15-13-20/h4-16,18,24-25H,17H2,1-3H3,(H2,30,35)(H,31,33)/t24?,25-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392303
PNG
(CHEMBL2153664)
Show SMILES CC(CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20|
Show InChI InChI=1S/C26H25Cl2N5O3S/c1-17(25(29)34)15-30-26(32-37(35,36)22-13-11-21(28)12-14-22)33-16-23(18-5-3-2-4-6-18)24(31-33)19-7-9-20(27)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,29,34)(H,30,32)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392304
PNG
(CHEMBL2153665)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H23Cl2N5O3S/c1-16(24(28)33)29-25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,16,22H,15H2,1H3,(H2,28,33)(H,29,31)/t16-,22?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392317
PNG
(CHEMBL2153659)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(O)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H22Cl2N4O4S/c1-16(24(32)33)28-25(30-36(34,35)21-13-11-20(27)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(26)10-8-18/h2-14,16,22H,15H2,1H3,(H,28,30)(H,32,33)/t16-,22?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392319
PNG
(CHEMBL2153671)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392283
PNG
(CHEMBL2153670)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392285
PNG
(CHEMBL2153673)
Show SMILES NC(=O)[C@@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C1CCC1 |r,w:5.5,c:21|
Show InChI InChI=1S/C28H27Cl2N5O3S/c29-21-11-9-20(10-12-21)25-24(18-5-2-1-3-6-18)17-35(33-25)28(32-26(27(31)36)19-7-4-8-19)34-39(37,38)23-15-13-22(30)14-16-23/h1-3,5-6,9-16,19,24,26H,4,7-8,17H2,(H2,31,36)(H,32,34)/t24?,26-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392314
PNG
(CHEMBL2153654)
Show SMILES CN=C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C25H24ClN5O3S/c1-17(32)28-21-12-14-22(15-13-21)35(33,34)30-25(27-2)31-16-23(18-6-4-3-5-7-18)24(29-31)19-8-10-20(26)11-9-19/h3-15,23H,16H2,1-2H3,(H,27,30)(H,28,32)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392318
PNG
(CHEMBL2153661)
Show SMILES O[C@@H](CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(O)=O |r,w:4.3,c:21|
Show InChI InChI=1S/C26H24Cl2N4O5S/c27-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-32(30-24)26(29-15-14-23(33)25(34)35)31-38(36,37)21-12-10-20(28)11-13-21/h1-13,22-23,33H,14-16H2,(H,29,31)(H,34,35)/t22?,23-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392296
PNG
(CHEMBL2153765)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)NCC(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C27H26Cl2N6O4S/c1-17(26(37)31-15-24(30)36)32-27(34-40(38,39)22-13-11-21(29)12-14-22)35-16-23(18-5-3-2-4-6-18)25(33-35)19-7-9-20(28)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,30,36)(H,31,37)(H,32,34)/t17-,23?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392283
PNG
(CHEMBL2153670)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392300
PNG
(CHEMBL2153772)
Show SMILES C[C@@H](O)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C29H30Cl2N6O6S/c1-17(39)25(28(41)33-24(16-38)27(32)40)34-29(36-44(42,43)22-13-11-21(31)12-14-22)37-15-23(18-5-3-2-4-6-18)26(35-37)19-7-9-20(30)10-8-19/h2-14,17,23-25,38-39H,15-16H2,1H3,(H2,32,40)(H,33,41)(H,34,36)/t17-,23?,24+,25+/m1/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392289
PNG
(CHEMBL2153758)
Show SMILES NC(=O)[C@@H](O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:7.6,c:24|
Show InChI InChI=1S/C26H25Cl2N5O4S/c27-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-33(31-24)26(30-15-14-23(34)25(29)35)32-38(36,37)21-12-10-20(28)11-13-21/h1-13,22-23,34H,14-16H2,(H2,29,35)(H,30,32)/t22?,23-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392298
PNG
(CHEMBL2153767)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C28H28Cl2N6O5S/c1-17(27(39)33-24(16-37)26(31)38)32-28(35-42(40,41)22-13-11-21(30)12-14-22)36-15-23(18-5-3-2-4-6-18)25(34-36)19-7-9-20(29)10-8-19/h2-14,17,23-24,37H,15-16H2,1H3,(H2,31,38)(H,32,35)(H,33,39)/t17-,23?,24-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392295
PNG
(CHEMBL2153764)
Show SMILES NC(=O)CNC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:8.7,c:25|
Show InChI InChI=1S/C26H24Cl2N6O4S/c27-19-8-6-18(7-9-19)25-22(17-4-2-1-3-5-17)16-34(32-25)26(31-15-24(36)30-14-23(29)35)33-39(37,38)21-12-10-20(28)11-13-21/h1-13,22H,14-16H2,(H2,29,35)(H,30,36)(H,31,33)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392312
PNG
(CHEMBL2153652)
Show SMILES CN=C(NS(=O)(=O)c1ccc(OCC(O)=O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:22|
Show InChI InChI=1S/C25H23ClN4O5S/c1-27-25(29-36(33,34)21-13-11-20(12-14-21)35-16-23(31)32)30-15-22(17-5-3-2-4-6-17)24(28-30)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H,27,29)(H,31,32)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392282
PNG
(CHEMBL2153650)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:20|
Show InChI InChI=1S/C24H22ClN5O3S/c1-27-24(29-34(32,33)20-13-9-18(10-14-20)23(26)31)30-15-21(16-5-3-2-4-6-16)22(28-30)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H2,26,31)(H,27,29)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392290
PNG
(CHEMBL2153759)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:22|
Show InChI InChI=1S/C25H24ClN5O4S/c1-35-20-11-13-21(14-12-20)36(33,34)30-25(28-15-23(27)32)31-16-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392299
PNG
(CHEMBL2153768)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29|
Show InChI InChI=1S/C29H31ClN6O6S/c1-18(28(39)33-25(17-37)27(31)38)32-29(35-43(40,41)23-14-12-22(42-2)13-15-23)36-16-24(19-6-4-3-5-7-19)26(34-36)20-8-10-21(30)11-9-20/h3-15,18,24-25,37H,16-17H2,1-2H3,(H2,31,38)(H,32,35)(H,33,39)/t18-,24?,25-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392309
PNG
(CHEMBL2153770)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(=O)NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29|
Show InChI InChI=1S/C30H33ClN6O5S/c1-19(2)27(29(39)33-17-26(32)38)34-30(36-43(40,41)24-15-13-23(42-3)14-16-24)37-18-25(20-7-5-4-6-8-20)28(35-37)21-9-11-22(31)12-10-21/h4-16,19,25,27H,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,36)/t25?,27-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392281
PNG
(CHEMBL2153649)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(O)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:20|
Show InChI InChI=1S/C24H21ClN4O4S/c1-26-24(28-34(32,33)20-13-9-18(10-14-20)23(30)31)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,26,28)(H,30,31)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392292
PNG
(CHEMBL2153761)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:23|
Show InChI InChI=1S/C26H26ClN5O4S/c1-17(25(28)33)29-26(31-37(34,35)22-14-12-21(36-2)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,17,23H,16H2,1-2H3,(H2,28,33)(H,29,31)/t17-,23?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392310
PNG
(CHEMBL2153771)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](C)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C30H32Cl2N6O4S/c1-18(2)26(29(40)34-19(3)28(33)39)35-30(37-43(41,42)24-15-13-23(32)14-16-24)38-17-25(20-7-5-4-6-8-20)27(36-38)21-9-11-22(31)12-10-21/h4-16,18-19,25-26H,17H2,1-3H3,(H2,33,39)(H,34,40)(H,35,37)/t19-,25?,26-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392286
PNG
(CHEMBL2153674)
Show SMILES C[C@@H](O)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C26H25Cl2N5O4S/c1-16(34)23(25(29)35)30-26(32-38(36,37)21-13-11-20(28)12-14-21)33-15-22(17-5-3-2-4-6-17)24(31-33)18-7-9-19(27)10-8-18/h2-14,16,22-23,34H,15H2,1H3,(H2,29,35)(H,30,32)/t16-,22?,23+/m1/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392302
PNG
(CHEMBL2153663)
Show SMILES NC(=O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22|
Show InChI InChI=1S/C25H23Cl2N5O3S/c26-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-32(30-24)25(29-15-14-23(28)33)31-36(34,35)21-12-10-20(27)11-13-21/h1-13,22H,14-16H2,(H2,28,33)(H,29,31)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392306
PNG
(CHEMBL2153667)
Show SMILES NC(=O)C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22|
Show InChI InChI=1S/C26H24Cl2N6O4S/c27-18-8-6-17(7-9-18)24-21(16-4-2-1-3-5-16)15-34(32-24)26(31-22(25(30)36)14-23(29)35)33-39(37,38)20-12-10-19(28)11-13-20/h1-13,21-22H,14-15H2,(H2,29,35)(H2,30,36)(H,31,33)/t21?,22-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392287
PNG
(CHEMBL2153675)
Show SMILES C[C@H](O)[C@@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C26H25Cl2N5O4S/c1-16(34)23(25(29)35)30-26(32-38(36,37)21-13-11-20(28)12-14-21)33-15-22(17-5-3-2-4-6-17)24(31-33)18-7-9-19(27)10-8-18/h2-14,16,22-23,34H,15H2,1H3,(H2,29,35)(H,30,32)/t16-,22?,23+/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392288
PNG
(CHEMBL2153757)
Show SMILES NC(=O)[C@H](CO)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:7.7,c:23|
Show InChI InChI=1S/C25H23Cl2N5O4S/c26-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)14-32(30-23)25(29-22(15-33)24(28)34)31-37(35,36)20-12-10-19(27)11-13-20/h1-13,21-22,33H,14-15H2,(H2,28,34)(H,29,31)/t21?,22-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392301
PNG
(CHEMBL2153662)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H21Cl2N5O3S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-31(29-23)24(28-14-22(27)32)30-35(33,34)20-12-10-19(26)11-13-20/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392311
PNG
(CHEMBL2153651)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(=O)NO)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H22ClN5O4S/c1-26-24(29-35(33,34)20-13-9-18(10-14-20)23(31)28-32)30-15-21(16-5-3-2-4-6-16)22(27-30)17-7-11-19(25)12-8-17/h2-14,21,32H,15H2,1H3,(H,26,29)(H,28,31)
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392313
PNG
(CHEMBL2153653)
Show SMILES CN=C(NS(=O)(=O)c1ccc(OCC(N)=O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:22|
Show InChI InChI=1S/C25H24ClN5O4S/c1-28-25(30-36(33,34)21-13-11-20(12-14-21)35-16-23(27)32)31-15-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392284
PNG
(CHEMBL2153672)
Show SMILES CC(C)(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22|
Show InChI InChI=1S/C28H29Cl2N5O3S/c1-28(2,3)25(26(31)36)32-27(34-39(37,38)22-15-13-21(30)14-16-22)35-17-23(18-7-5-4-6-8-18)24(33-35)19-9-11-20(29)12-10-19/h4-16,23,25H,17H2,1-3H3,(H2,31,36)(H,32,34)/t23?,25-/m1/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392307
PNG
(CHEMBL2153668)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.13,c:29|
Show InChI InChI=1S/C31H27Cl2N5O3S/c32-24-13-11-23(12-14-24)29-27(22-9-5-2-6-10-22)20-38(36-29)31(37-42(40,41)26-17-15-25(33)16-18-26)35-28(30(34)39)19-21-7-3-1-4-8-21/h1-18,27-28H,19-20H2,(H2,34,39)(H,35,37)/t27?,28-/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392293
PNG
(CHEMBL2153762)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(24(27)33)28-25(30-36(34,35)21-13-11-20(32)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(26)10-8-18/h2-14,16,22,32H,15H2,1H3,(H2,27,33)(H,28,30)/t16-,22?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392297
PNG
(CHEMBL2153766)
Show SMILES C[C@H](NC(=O)[C@H](C)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:8.8,c:24|
Show InChI InChI=1S/C28H28Cl2N6O4S/c1-17(26(31)37)32-27(38)18(2)33-28(35-41(39,40)23-14-12-22(30)13-15-23)36-16-24(19-6-4-3-5-7-19)25(34-36)20-8-10-21(29)11-9-20/h3-15,17-18,24H,16H2,1-2H3,(H2,31,37)(H,32,38)(H,33,35)/t17-,18-,24?/m0/s1
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Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392291
PNG
(CHEMBL2153760)
Show SMILES NC(=O)CN=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.3,c:21|
Show InChI InChI=1S/C24H22ClN5O4S/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)15-30(28-23)24(27-14-22(26)32)29-35(33,34)20-12-10-19(31)11-13-20/h1-13,21,31H,14-15H2,(H2,26,32)(H,27,29)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%