BDBM50392304 CHEMBL2153665
SMILES: C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
InChI Key: InChIKey=XLJIOOZLORFWPI-CISYCMJJSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392304 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)) | BDBM50392304
(CHEMBL2153665)Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19| Show InChI InChI=1S/C25H23Cl2N5O3S/c1-16(24(28)33)29-25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,16,22H,15H2,1H3,(H2,28,33)(H,29,31)/t16-,22?/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 | 20 | 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)) | BDBM50392304
(CHEMBL2153665)Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19| Show InChI InChI=1S/C25H23Cl2N5O3S/c1-16(24(28)33)29-25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,16,22H,15H2,1H3,(H2,28,33)(H,29,31)/t16-,22?/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 | >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 | |