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SMILES: C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1[nH]c2ncccc2c1Cl

InChI Key: InChIKey=DKRAUWFHWZEQMO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145865   
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))		BDBM50145865
PNG
(CHEMBL3763337)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1[nH]c2ncccc2c1Cl
Show InChI InChI=1S/C21H22Cl2N2OS/c1-27(26)18-9-8-14(12-17(18)22)16(11-13-5-2-3-6-13)20-19(23)15-7-4-10-24-21(15)25-20/h4,7-10,12-13,16H,2-3,5-6,11H2,1H3,(H,24,25)
PDB
MMDB

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PC cid
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UniChem

Similars
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as NADPH formation using glucose as substrate incubated for 30 mins in presence of NADP+ and glu...

J Med Chem 59: 687-706 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9S0F
More data for this
Ligand-Target Pair