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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 = 'BDBM80807'   
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))
BDBM80807
PNG
(3,5-dichlorobenzoic acid [2-(2,2-dimethyl-3-oxo-4H...)
Show SMILES CC1(C)N(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2NC1=O
Show InChI InChI=1S/C19H16Cl2N2O4/c1-19(2)18(26)22-14-5-3-4-6-15(14)23(19)16(24)10-27-17(25)11-7-12(20)9-13(21)8-11/h3-9H,10H2,1-2H3,(H,22,26)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.91E+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