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BDBM210338 US9290451, 101

SMILES: CC(C)(NC(=O)c1ccc(C2CCOC2)c(n1)-c1cccc(Cl)c1)c1nccs1

InChI Key: InChIKey=BZAFJWJNAUGVEN-UHFFFAOYSA-N

Data: 2 EC50

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 = 210338   
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))
BDBM210338
PNG
(US9290451, 101)
Show SMILES CC(C)(NC(=O)c1ccc(C2CCOC2)c(n1)-c1cccc(Cl)c1)c1nccs1
Show InChI InChI=1S/C22H22ClN3O2S/c1-22(2,21-24-9-11-29-21)26-20(27)18-7-6-17(15-8-10-28-13-15)19(25-18)14-4-3-5-16(23)12-14/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,26,27)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM210338
PNG
(US9290451, 101)
Show SMILES CC(C)(NC(=O)c1ccc(C2CCOC2)c(n1)-c1cccc(Cl)c1)c1nccs1
Show InChI InChI=1S/C22H22ClN3O2S/c1-22(2,21-24-9-11-29-21)26-20(27)18-7-6-17(15-8-10-28-13-15)19(25-18)14-4-3-5-16(23)12-14/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 102n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair