BDBM50392302 CHEMBL2153663
SMILES: NC(=O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=LPWHHWPRDQHSCO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392302 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)) | BDBM50392302
(CHEMBL2153663)Show SMILES NC(=O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22| Show InChI InChI=1S/C25H23Cl2N5O3S/c26-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-32(30-24)25(29-15-14-23(28)33)31-36(34,35)21-12-10-20(27)11-13-21/h1-13,22H,14-16H2,(H2,28,33)(H,29,31) | 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 | 32 | 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)) | BDBM50392302
(CHEMBL2153663)Show SMILES NC(=O)CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22| Show InChI InChI=1S/C25H23Cl2N5O3S/c26-19-8-6-18(7-9-19)24-22(17-4-2-1-3-5-17)16-32(30-24)25(29-15-14-23(28)33)31-36(34,35)21-12-10-20(27)11-13-21/h1-13,22H,14-16H2,(H2,28,33)(H,29,31) | 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 | |