BDBM50392294 CHEMBL2153763
SMILES: COc1cccc(c1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=VJYMFECSXKBOMY-BBMPLOMVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392294 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)) | BDBM50392294
(CHEMBL2153763)Show SMILES COc1cccc(c1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:25| Show InChI InChI=1S/C28H30ClN5O4S/c1-18(2)25(27(30)35)31-28(33-39(36,37)23-11-7-10-22(16-23)38-3)34-17-24(19-8-5-4-6-9-19)26(32-34)20-12-14-21(29)15-13-20/h4-16,18,24-25H,17H2,1-3H3,(H2,30,35)(H,31,33)/t24?,25-/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 | 4 | 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)) | BDBM50392294
(CHEMBL2153763)Show SMILES COc1cccc(c1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:25| Show InChI InChI=1S/C28H30ClN5O4S/c1-18(2)25(27(30)35)31-28(33-39(36,37)23-11-7-10-22(16-23)38-3)34-17-24(19-8-5-4-6-9-19)26(32-34)20-12-14-21(29)15-13-20/h4-16,18,24-25H,17H2,1-3H3,(H2,30,35)(H,31,33)/t24?,25-/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 | |
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