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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hypoxanthine-guanine phosphoribosyltransferase' and Ligand = 'BDBM50519492'   
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


(Homo sapiens (Human))
BDBM50519492
PNG
(CHEMBL1233663)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H15N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,12,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7+,9-,10+/m1/s1
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PC cid
PC sid
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1.80n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation using [5'-14C]IMP as substrate by scintilla...


J Med Chem 62: 8365-8391 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00182
BindingDB Entry DOI: 10.7270/Q2T1571N
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50519492
PNG
(CHEMBL1233663)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H15N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,12,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7+,9-,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT assessed as inhibitor constant for enzyme-inhibitor complex formation using [5'-14C]IMP as substrate by scintillation count...


J Med Chem 62: 8365-8391 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00182
BindingDB Entry DOI: 10.7270/Q2T1571N
More data for this
Ligand-Target Pair