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BDBM176614 US9115121, 5

SMILES: COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(SC)cc1

InChI Key: InChIKey=KCAQAHXWFFFDRB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 176614   
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))
BDBM176614
PNG
(US9115121, 5)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(SC)cc1
Show InChI InChI=1S/C19H19FN4OS/c1-25-19-23-17(14-5-9-16(26-2)10-6-14)22-18(24-19)21-12-11-13-3-7-15(20)8-4-13/h3-10H,11-12H2,1-2H3,(H,21,22,23,24)
PDB

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PC cid
PC sid
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US Patent
n/an/a 14n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)


BindingDB Entry DOI: 10.7270/Q23N225X
More data for this
Ligand-Target Pair