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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 = 'BDBM53342'   
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))
BDBM53342
PNG
((E)-3-(2-furanyl)-N-[2-oxo-2-[(2-oxo-3-indolyl)hyd...)
Show SMILES O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
Show InChI InChI=1S/C17H14N4O4/c22-14(8-7-11-4-3-9-25-11)18-10-15(23)20-21-16-12-5-1-2-6-13(12)19-17(16)24/h1-9H,10H2,(H,18,22)(H,20,23)(H,19,21,24)/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.53E+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))
BDBM53342
PNG
((E)-3-(2-furanyl)-N-[2-oxo-2-[(2-oxo-3-indolyl)hyd...)
Show SMILES O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
Show InChI InChI=1S/C17H14N4O4/c22-14(8-7-11-4-3-9-25-11)18-10-15(23)20-21-16-12-5-1-2-6-13(12)19-17(16)24/h1-9H,10H2,(H,18,22)(H,20,23)(H,19,21,24)/b8-7+
UniProtKB/SwissProt

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