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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 61259   
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 HKDC1 [W721R]


(Homo sapiens (Human))		BDBM61259
PNG
(4-[3-[(5E)-5-(4-ethoxybenzylidene)-4-keto-2-thioxo...)
Show SMILES CCOc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O5S2/c1-2-29-17-9-3-14(4-10-17)13-18-20(26)24(22(30)31-18)12-11-19(25)23-16-7-5-15(6-8-16)21(27)28/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H,27,28)/b18-13+
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PC sid
UniChem

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PCBioAssay
n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair