BDBM50392303 CHEMBL2153664
SMILES: CC(CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
InChI Key: InChIKey=YRXMEDPFPXDCMQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392303 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)) | BDBM50392303
(CHEMBL2153664)Show SMILES CC(CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20| Show InChI InChI=1S/C26H25Cl2N5O3S/c1-17(25(29)34)15-30-26(32-37(35,36)22-13-11-21(28)12-14-22)33-16-23(18-5-3-2-4-6-18)24(31-33)19-7-9-20(27)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,29,34)(H,30,32) | 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 | 26 | 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)) | BDBM50392303
(CHEMBL2153664)Show SMILES CC(CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |w:3.2,c:20| Show InChI InChI=1S/C26H25Cl2N5O3S/c1-17(25(29)34)15-30-26(32-37(35,36)22-13-11-21(28)12-14-22)33-16-23(18-5-3-2-4-6-18)24(31-33)19-7-9-20(27)10-8-19/h2-14,17,23H,15-16H2,1H3,(H2,29,34)(H,30,32) | 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 | >1.00E+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 | |