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SMILES: Cn1cnnc1Sc1ccc(Sc2ccc(Cl)c(Cl)c2)c(n1)C(=O)Nc1nc(CC(O)=O)c(Cl)s1

InChI Key: InChIKey=FLGYREZRHWRPJM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260426   
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))		BDBM260426
PNG
(US9527838, 54)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(Cl)c(Cl)c2)c(n1)C(=O)Nc1nc(CC(O)=O)c(Cl)s1
Show InChI InChI=1S/C20H13Cl3N6O3S3/c1-29-8-24-28-20(29)34-14-5-4-13(33-9-2-3-10(21)11(22)6-9)16(26-14)18(32)27-19-25-12(7-15(30)31)17(23)35-19/h2-6,8H,7H2,1H3,(H,30,31)(H,25,27,32)
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PC cid
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US Patent
n/an/an/an/a 23.3n/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