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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase HKDC1 [W721R]' and Ligand = 'BDBM40319'   
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))
BDBM40319
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
Show InChI InChI=1S/C19H15NO4/c1-2-24-19(23)12-7-9-13(10-8-12)20-16-11-17(21)18(22)15-6-4-3-5-14(15)16/h3-11,20H,2H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.39E+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/Q2W094D4
More data for this
Ligand-Target Pair
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM40319
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
Show InChI InChI=1S/C19H15NO4/c1-2-24-19(23)12-7-9-13(10-8-12)20-16-11-17(21)18(22)15-6-4-3-5-14(15)16/h3-11,20H,2H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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