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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'putative hexokinase HKDC1' and Ligand = 'BDBM66066'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM66066
PNG
((E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-car...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-12-5-2-11(3-6-12)4-7-14(22)19-16(25)21-20-15(23)13-10-17-8-9-18-13/h2-10H,1H3,(H,20,23)(H2,19,21,22,25)/b7-4+
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.23E+3n/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