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BDBM210500 US9290451, 212

SMILES: CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1

InChI Key: InChIKey=UCUFKAFMMRYRNU-KRWDZBQOSA-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 = 210500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM210500
PNG
(US9290451, 212)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H21ClFN3O2/c1-11(2)9-17(18(25)22-3)24-19(26)16-6-4-5-15(23-16)12-7-8-14(21)13(20)10-12/h4-8,10-11,17H,9H2,1-3H3,(H,22,25)(H,24,26)/t17-/m0/s1
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))
BDBM210500
PNG
(US9290451, 212)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H21ClFN3O2/c1-11(2)9-17(18(25)22-3)24-19(26)16-6-4-5-15(23-16)12-7-8-14(21)13(20)10-12/h4-8,10-11,17H,9H2,1-3H3,(H,22,25)(H,24,26)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13.4n/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