BDBM50392290 CHEMBL2153759
SMILES: COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=YOJCUELXDGGLDN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392290 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)) | BDBM50392290
(CHEMBL2153759)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:22| Show InChI InChI=1S/C25H24ClN5O4S/c1-35-20-11-13-21(14-12-20)36(33,34)30-25(28-15-23(27)32)31-16-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30) | 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 | 100 | 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)) | BDBM50392290
(CHEMBL2153759)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:22| Show InChI InChI=1S/C25H24ClN5O4S/c1-35-20-11-13-21(14-12-20)36(33,34)30-25(28-15-23(27)32)31-16-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30) | 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 | |