Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50195516' 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
(Mus musculus (Mouse)) | BDBM50195516
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)| Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain |
J Med Chem 49: 5947-57 (2006)
Article DOI: 10.1021/jm0603466 BindingDB Entry DOI: 10.7270/Q2DB82N5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50195516
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)| Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in DBA/J2 mouse brain |
J Med Chem 49: 5947-57 (2006)
Article DOI: 10.1021/jm0603466 BindingDB Entry DOI: 10.7270/Q2DB82N5 |
More data for this Ligand-Target Pair | |