BDBM50392292 CHEMBL2153761
SMILES: COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=YFFXLLWRNNJUHU-NVHKAFQKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392292 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50392292
(CHEMBL2153761)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:23| Show InChI InChI=1S/C26H26ClN5O4S/c1-17(25(28)33)29-26(31-37(34,35)22-14-12-21(36-2)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,17,23H,16H2,1-2H3,(H2,28,33)(H,29,31)/t17-,23?/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description Displacement of 3[H]ligand from recombinant human CB1 receptor |
Bioorg Med Chem Lett 22: 6173-80 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392292
(CHEMBL2153761)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:23| Show InChI InChI=1S/C26H26ClN5O4S/c1-17(25(28)33)29-26(31-37(34,35)22-14-12-21(36-2)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,17,23H,16H2,1-2H3,(H2,28,33)(H,29,31)/t17-,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description Displacement of 3[H]ligand from recombinant human CB2 receptor |
Bioorg Med Chem Lett 22: 6173-80 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2 |
More data for this Ligand-Target Pair | |