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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-1' and Ligand = 'BDBM71373'   
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-1


(Homo sapiens (Human))
BDBM71373
PNG
(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Show SMILES Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12 |w:5.4|
Show InChI InChI=1S/C16H11ClN2O2/c17-13-14(19-9-10-4-3-7-18-8-10)16(21)12-6-2-1-5-11(12)15(13)20/h1-9,20-21H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.08E+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/Q2765CSM
More data for this
Ligand-Target Pair