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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Hypoxanthine-guanine phosphoribosyltransferase' and Ligand = 'BDBM50467705'   
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))
BDBM50467705
PNG
(CHEMBL4282830)
Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r|
Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1
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1n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis


Eur J Med Chem 159: 10-22 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.039
BindingDB Entry DOI: 10.7270/Q2D22197
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50467705
PNG
(CHEMBL4282830)
Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r|
Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50467705
PNG
(CHEMBL4282830)
Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r|
Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1
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60n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...


Eur J Med Chem 159: 10-22 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.039
BindingDB Entry DOI: 10.7270/Q2D22197
More data for this
Ligand-Target Pair