Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50034594 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)) | BDBM50364921
(CHEMBL1950329)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364920
(CHEMBL1950351)Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364922
(CHEMBL1950330)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(CC4CC4)Cc3c2c1 Show InChI InChI=1S/C25H33N3O/c1-3-11-28-23-7-6-20(25(29)27-13-8-18(2)9-14-27)15-21(23)22-17-26(12-10-24(22)28)16-19-4-5-19/h3,6-7,15,18-19H,1,4-5,8-14,16-17H2,2H3 | PDB
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 |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50218116
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |