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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase HKDC1 [W721R]' and Ligand = 'BDBM80778'   
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))		BDBM80778
PNG
(3-(2-ketochromen-3-yl)-N-(4-pyrrolidinophenyl)benz...)
Show SMILES O=C(Nc1ccc(cc1)N1CCCC1)c1cccc(c1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C26H22N2O3/c29-25(27-21-10-12-22(13-11-21)28-14-3-4-15-28)20-8-5-7-18(16-20)23-17-19-6-1-2-9-24(19)31-26(23)30/h1-2,5-13,16-17H,3-4,14-15H2,(H,27,29)
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PCBioAssay
n/an/an/an/a 1.36E+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