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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 = 'BDBM80809'   
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
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80809
PNG
(3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-y...)
Show SMILES Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1
Show InChI InChI=1S/C20H18N4S2/c1-23-17(15-5-3-11-21-13-15)7-9-19(23)25-26-20-10-8-18(24(20)2)16-6-4-12-22-14-16/h3-14H,1-2H3
GoogleScholar
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.48E+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