BindingDB logo
myBDB logout

BDBM50392293 CHEMBL2153762

SMILES: C[C@H](N=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O

InChI Key: InChIKey=WOLXXMBHIMTGNW-CISYCMJJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392293   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392293
PNG
(CHEMBL2153762)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(24(27)33)28-25(30-36(34,35)21-13-11-20(32)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(26)10-8-18/h2-14,16,22,32H,15H2,1H3,(H2,27,33)(H,28,30)/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/an/a>500n/an/an/an/an/an/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))
BDBM50392293
PNG
(CHEMBL2153762)
Show SMILES C[C@H](N=C(NS(=O)(=O)c1ccc(O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,w:3.3,c:19|
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(24(27)33)28-25(30-36(34,35)21-13-11-20(32)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(26)10-8-18/h2-14,16,22,32H,15H2,1H3,(H2,27,33)(H,28,30)/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/an/a>5.00E+3n/an/an/an/an/an/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