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SMILES: CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(Cl)c(Cl)c2)s1)OCC

InChI Key: InChIKey=JAFWKWAXTDZIPS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260422   
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
Hexokinase-4


(Homo sapiens (Human))		BDBM260422
PNG
(US9527838, 50)
Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(Cl)c(Cl)c2)s1)OCC
Show InChI InChI=1S/C23H23Cl2N6O4PS3/c1-4-34-36(33,35-5-2)12-15-11-26-22(38-15)29-21(32)20-18(37-14-6-7-16(24)17(25)10-14)8-9-19(28-20)39-23-30-27-13-31(23)3/h6-11,13H,4-5,12H2,1-3H3,(H,26,29,32)
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PC cid
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US Patent
n/an/an/an/a 57.1n/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