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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 80750   
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))
BDBM80750
PNG
((6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyr...)
Show SMILES COCC(=O)OC1=c2nc3c(O)c(NC(C)=O)c(=C)c(O)c3n2CC1 |c:6|
Show InChI InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h22-23H,1,4-6H2,2-3H3,(H,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.15E+3n/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
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM80750
PNG
((6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyr...)
Show SMILES COCC(=O)OC1=c2nc3c(O)c(NC(C)=O)c(=C)c(O)c3n2CC1 |c:6|
Show InChI InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h22-23H,1,4-6H2,2-3H3,(H,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.18E+3n/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