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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 260413   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))
BDBM260413
PNG
(US9527838, 41)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)sc1Cl
Show InChI InChI=1S/C23H18ClF3N6O3S3/c1-3-36-17(34)10-14-19(24)39-21(29-14)31-20(35)18-15(37-13-6-4-12(5-7-13)23(25,26)27)8-9-16(30-18)38-22-32-28-11-33(22)2/h4-9,11H,3,10H2,1-2H3,(H,29,31,35)
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MMDB

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US Patent
n/an/an/an/a 18.9n/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