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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 = 'BDBM80797'   
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))
BDBM80797
PNG
((4-morpholinosulfonylphenyl)-[5-(1,2,5-trimethylpy...)
Show SMILES Cc1cc(c(C)n1C)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1
Show InChI InChI=1S/C20H25N5O3S2/c1-14-12-18(15(2)24(14)3)19-13-29-20(23-22-19)21-16-4-6-17(7-5-16)30(26,27)25-8-10-28-11-9-25/h4-7,12H,8-11,13H2,1-3H3,(H,21,23)
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PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.47E+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