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PubMed code 22249123

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50361442
PNG
(CHEMBL1934407)
Show SMILES Nc1nc2n(CC(O)COCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(15)2-20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT by spectrophotometric analysis in absence of PPi


Bioorg Med Chem 20: 1222-30 (2012)


Article DOI: 10.1016/j.bmc.2011.12.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50361443
PNG
(CHEMBL1934409)
Show SMILES Nc1nc2n(CC(COCP(O)(O)=O)OCC(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H16N5O8P/c12-11-14-9-8(10(19)15-11)13-4-16(9)1-6(24-3-7(17)18)2-23-5-25(20,21)22/h4,6H,1-3,5H2,(H,17,18)(H2,20,21,22)(H3,12,14,15,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT by spectrophotometric analysis in absence of PPi


Bioorg Med Chem 20: 1222-30 (2012)


Article DOI: 10.1016/j.bmc.2011.12.034
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%