Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM192521' 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)) | BDBM192521
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)| Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
US Patent
| Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ... |
US Patent US9187480 (2015)
BindingDB Entry DOI: 10.7270/Q28051DS |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM192521
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)| Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
US Patent
| Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ... |
US Patent US9187480 (2015)
BindingDB Entry DOI: 10.7270/Q28051DS |
More data for this Ligand-Target Pair | |