Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50354807' 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 1
(Homo sapiens (Human)) | BDBM50354807
(CHEMBL1834277)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)| Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5711-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50354807
(CHEMBL1834277)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)| Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 21: 5711-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ |
More data for this Ligand-Target Pair | |