Found 232 hits with Last Name = 'borst' and Initial = 'aj' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50172158
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309538
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22| Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309540
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13| Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309534
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13| Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354607
(CHEMBL1834337)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317250
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1 Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50303835
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23| Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells |
J Med Chem 53: 1338-46 (2010)
Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309537
(2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...)Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1 Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354608
(CHEMBL1834342)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C12H17ClN4O2S2/c1-3-9-7-15-17(8-9)12(14-4-2)16-21(18,19)11-6-5-10(13)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354609
(CHEMBL1834348)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354610
(CHEMBL1834338)Show SMILES CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354611
(CHEMBL1834347)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCC2)C=N1 |w:2.1,c:24| Show InChI InChI=1S/C16H21ClN4O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354612
(CHEMBL1834350)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354614
(CHEMBL1834341)Show SMILES CCNC(=NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C=N1 |w:4.4,c:24| Show InChI InChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354613
(CHEMBL1834333)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-12(15)13(16)7-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354615
(CHEMBL1834230)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C13H17ClN4O2S/c1-3-15-13(18-9-10(2)8-16-18)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354616
(CHEMBL1834238)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccco1 |w:2.1,c:17| Show InChI InChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)13-6-3-5-12(17)11-13)21-14(8-9-19-21)15-7-4-10-24-15/h3-7,9-11,14H,2,8H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309543
(5-Bromo-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12| Show InChI InChI=1S/C21H24BrN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354617
(CHEMBL1834340)Show SMILES CCNC(=NS(=O)c1sc2ccc(Cl)cc2c1C)N1CC(CC)C=N1 |w:4.4,c:25| Show InChI InChI=1S/C17H21ClN4OS2/c1-4-12-9-20-22(10-12)17(19-5-2)21-25(23)16-11(3)14-8-13(18)6-7-15(14)24-16/h6-9,12H,4-5,10H2,1-3H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317246
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCC1 Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354618
(CHEMBL1834235)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccccc1 |r,w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50303837
(CHEMBL570623 | [3-(4-Chlorophenyl)-4-phenyl-4,5-di...)Show SMILES CN(C)CCN1CCN(CC1)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:12.13,c:28| Show InChI InChI=1S/C30H34Cl2N6O2S/c1-35(2)16-17-36-18-20-37(21-19-36)30(34-41(39,40)27-14-12-26(32)13-15-27)38-22-28(23-6-4-3-5-7-23)29(33-38)24-8-10-25(31)11-9-24/h3-15,28H,16-22H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells |
J Med Chem 53: 1338-46 (2010)
Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309536
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)Show SMILES Cc1nc(C(=O)NC2C3CC4CC(CC24)C3)c(C)n1-c1ccccc1 |TLB:13:14:15.12.11:9,6:7:15.12.11:9,THB:13:12:9:7.14| Show InChI InChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309539
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25| Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317253
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-iodo-N...)Show SMILES Clc1ccc(cc1)-n1c(I)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H18Cl3IN4O/c22-13-4-7-15(8-5-13)29-19(25)18(21(30)27-28-10-2-1-3-11-28)26-20(29)16-9-6-14(23)12-17(16)24/h4-9,12H,1-3,10-11H2,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309544
(2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-...)Show SMILES CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22| Show InChI InChI=1S/C22H27N3OS/c1-14-23-19(21(27-2)25(14)18-6-4-3-5-7-18)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317251
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317254
(CHEMBL1088507 | N-(azepan-1-yl)-1-(4-chlorophenyl)...)Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C23H23Cl3N4OS/c1-32-23-20(22(31)28-29-12-4-2-3-5-13-29)27-21(18-11-8-16(25)14-19(18)26)30(23)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317248
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)Show SMILES CS(=O)(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309541
(2-Ethyl-1-phenyl-1H-imidazole-4-carboxylic acid ad...)Show SMILES CCc1nc(cn1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C22H27N3O/c1-2-20-23-19(14-25(20)18-6-4-3-5-7-18)21(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317252
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309535
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)Show SMILES Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(26.56,-11.41,;28.02,-10.93,;28.49,-9.46,;30.03,-9.46,;30.81,-8.13,;30.05,-6.79,;32.36,-8.13,;33.63,-9,;35.05,-8.44,;35.9,-9.6,;35.95,-11.01,;37.58,-11.64,;36.63,-10.41,;36.62,-8.9,;35.15,-11.01,;33.63,-10.51,;34.57,-11.58,;30.51,-10.92,;31.98,-11.39,;29.27,-11.83,;29.28,-13.38,;27.95,-14.15,;27.95,-15.69,;29.28,-16.46,;30.62,-15.69,;30.61,-14.14,)| Show InChI InChI=1S/C22H27N3O/c1-13-20(23-14(2)25(13)19-6-4-3-5-7-19)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-7,15-18,21H,8-12H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50163112
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50163112
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells |
J Med Chem 48: 1823-38 (2005)
Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50303844
(1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(p...)Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells |
J Med Chem 53: 1338-46 (2010)
Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354619
(CHEMBL1834227)Show SMILES CCCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:3.2,c:22| Show InChI InChI=1S/C15H21ClN4O2S/c1-3-8-17-15(20-11-12(4-2)10-18-20)19-23(21,22)14-7-5-6-13(16)9-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354587
(CHEMBL1834241)Show SMILES CCN=C(NS(=O)(=O)c1cccc(F)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19FN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354588
(CHEMBL1834339)Show SMILES CCN=C(NS(=O)(=O)c1ccc2ccccc2c1)N1CC(CC)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-10-9-15-7-5-6-8-16(15)11-17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354589
(CHEMBL1834228)Show SMILES CCC1CN(N=C1)C(NS(=O)(=O)c1cccc(Cl)c1)=NC |w:19.21,c:5| Show InChI InChI=1S/C13H17ClN4O2S/c1-3-10-8-16-18(9-10)13(15-2)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354590
(CHEMBL1834242)Show SMILES CCN=C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)N1CC(CC)C=N1 |w:2.1,c:24| Show InChI InChI=1S/C15H19F3N4O2S/c1-3-11-9-20-22(10-11)14(19-4-2)21-25(23,24)13-7-5-6-12(8-13)15(16,17)18/h5-9,11H,3-4,10H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354591
(CHEMBL1834240)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50303836
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)Show SMILES CN1CCC(CC1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7,c:25| Show InChI InChI=1S/C28H29Cl2N5O2S/c1-34-17-15-24(16-18-34)31-28(33-38(36,37)25-13-11-23(30)12-14-25)35-19-26(20-5-3-2-4-6-20)27(32-35)21-7-9-22(29)10-8-21/h2-14,24,26H,15-19H2,1H3,(H,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells |
J Med Chem 53: 1338-46 (2010)
Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50163139
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CC2CCC1C2 Show InChI InChI=1S/C24H22Cl3N3O/c1-13-22(24(31)28-21-11-14-2-3-15(21)10-14)29-23(19-9-6-17(26)12-20(19)27)30(13)18-7-4-16(25)5-8-18/h4-9,12,14-15,21H,2-3,10-11H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells |
J Med Chem 48: 1823-38 (2005)
Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309533
(CHEMBL599070 | N-(((cis)-6,6-dimethylbicyclo[3.1.1...)Show SMILES Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H29N3O/c1-14-20(24-15(2)25(14)19-8-6-5-7-9-19)21(26)23-13-16-10-17-12-18(11-16)22(17,3)4/h5-9,16-18H,10-13H2,1-4H3,(H,23,26)/t16-,17+,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50317245
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)Show SMILES CS(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2770-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309546
(1-Cyclohexyl-2,5-dimethyl-1H-imidazole-4-carboxyli...)Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1C1CCCCC1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12| Show InChI InChI=1S/C22H33N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-19H,3-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 1084-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB |
More data for this
Ligand-Target Pair | |
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