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SMILES: COC(=O)c1ccccc1Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=HKAZHPDEJCQSPU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 111140   
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 2


(Homo sapiens (Human))
BDBM111140
PNG
(US9682940, 30)
Show SMILES COC(=O)c1ccccc1Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H29Cl2F3N4O4S/c1-47-33(44)28-5-3-2-4-25(28)21-43-30-15-10-24(31(22-6-11-26(35)12-7-22)23-8-13-27(36)14-9-23)20-29(30)32(40-43)41-16-18-42(19-17-41)48(45,46)34(37,38)39/h2-15,20,31H,16-19,21H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...


US Patent US9682940 (2017)


BindingDB Entry DOI: 10.7270/Q2M61HD7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM111140
PNG
(US9682940, 30)
Show SMILES COC(=O)c1ccccc1Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H29Cl2F3N4O4S/c1-47-33(44)28-5-3-2-4-25(28)21-43-30-15-10-24(31(22-6-11-26(35)12-7-22)23-8-13-27(36)14-9-23)20-29(30)32(40-43)41-16-18-42(19-17-41)48(45,46)34(37,38)39/h2-15,20,31H,16-19,21H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...


US Patent US9682940 (2017)


BindingDB Entry DOI: 10.7270/Q2M61HD7
More data for this
Ligand-Target Pair