BDBM50392306 CHEMBL2153667
SMILES: NC(=O)C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
InChI Key: InChIKey=DIHHKZBFMIBXSG-KEKNWZKVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392306 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)) | BDBM50392306
(CHEMBL2153667)Show SMILES NC(=O)C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22| Show InChI InChI=1S/C26H24Cl2N6O4S/c27-18-8-6-17(7-9-18)24-21(16-4-2-1-3-5-16)15-34(32-24)26(31-22(25(30)36)14-23(29)35)33-39(37,38)20-12-10-19(28)11-13-20/h1-13,21-22H,14-15H2,(H2,29,35)(H2,30,36)(H,31,33)/t21?,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 | >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)) | BDBM50392306
(CHEMBL2153667)Show SMILES NC(=O)C[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:6.6,c:22| Show InChI InChI=1S/C26H24Cl2N6O4S/c27-18-8-6-17(7-9-18)24-21(16-4-2-1-3-5-16)15-34(32-24)26(31-22(25(30)36)14-23(29)35)33-39(37,38)20-12-10-19(28)11-13-20/h1-13,21-22H,14-15H2,(H2,29,35)(H2,30,36)(H,31,33)/t21?,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 | >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 | |
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