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BDBM210645 US9290451, 318

SMILES: CC(C)C[C@H](NC(=O)c1cccc(n1)C(O)c1ccc(F)cc1)c1noc(C)n1

InChI Key: InChIKey=DQQLSECXFCMNBF-OYKVQYDMSA-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 = 210645   
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))
BDBM210645
PNG
(US9290451, 318)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)C(O)c1ccc(F)cc1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H23FN4O3/c1-12(2)11-18(20-23-13(3)29-26-20)25-21(28)17-6-4-5-16(24-17)19(27)14-7-9-15(22)10-8-14/h4-10,12,18-19,27H,11H2,1-3H3,(H,25,28)/t18-,19?/m0/s1
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM210645
PNG
(US9290451, 318)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)C(O)c1ccc(F)cc1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H23FN4O3/c1-12(2)11-18(20-23-13(3)29-26-20)25-21(28)17-6-4-5-16(24-17)19(27)14-7-9-15(22)10-8-14/h4-10,12,18-19,27H,11H2,1-3H3,(H,25,28)/t18-,19?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 25.1n/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