Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50195511' 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)) | BDBM50195511
(CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluoro...)Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)| Show InChI InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37.5 | 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)) | BDBM50195511
(CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluoro...)Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)| Show InChI InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(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 | 138 | 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 | |