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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'putative hexokinase HKDC1' and Ligand = 'BDBM37658'   
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))
BDBM37658
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyetho...)
Show SMILES COCc1cc(ccc1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCOCCO
Show InChI InChI=1S/C21H23NO8/c1-28-12-14-11-13(4-5-15(14)24)18-17(19(25)16-3-2-8-30-16)20(26)21(27)22(18)6-9-29-10-7-23/h2-5,8,11,17-18,23-24H,6-7,9-10,12H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.00E+4n/an/an/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/Q23F4N3R
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM37658
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyetho...)
Show SMILES COCc1cc(ccc1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCOCCO
Show InChI InChI=1S/C21H23NO8/c1-28-12-14-11-13(4-5-15(14)24)18-17(19(25)16-3-2-8-30-16)20(26)21(27)22(18)6-9-29-10-7-23/h2-5,8,11,17-18,23-24H,6-7,9-10,12H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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