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BDBM260400 US9527838, 28

SMILES: OC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)s1

InChI Key: InChIKey=PGCLXMDPWOYDJF-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260400   
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
FLAG-Glucokinase (GK)


(Homo sapiens (Human))
BDBM260400
PNG
(US9527838, 28)
Show SMILES OC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C23H15F2N3O3S4/c24-13-1-5-15(6-2-13)33-17-9-10-18(34-16-7-3-14(25)4-8-16)27-21(17)22(31)28-23-26-11-20(35-23)32-12-19(29)30/h1-11H,12H2,(H,29,30)(H,26,28,31)
PDB
MMDB

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PC cid
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US Patent
n/an/an/an/a 172n/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...


US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair