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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Xanthine phosphoribosyltransferase (XGPRT)' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Xanthine phosphoribosyltransferase (XGPRT)


(Escherichia coli (strain K12))
BDBM194503
PNG
(US9200020, 1)
Show SMILES Nc1nc2n(CCN(CCOCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H22N6O8P2/c13-12-15-10-9(11(19)16-12)14-7-18(10)2-1-17(4-6-27(20,21)22)3-5-26-8-28(23,24)25/h7H,1-6,8H2,(H2,20,21,22)(H2,23,24,25)(H3,13,15,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
400n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Xanthine phosphoribosyltransferase (XGPRT)


(Escherichia coli (strain K12))
BDBM194504
PNG
(US9200020, 2)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H18N6O7P2/c11-10-13-8-7(9(17)14-10)12-5-16(8)2-1-15(6-25(21,22)23)3-4-24(18,19)20/h5H,1-4,6H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.70E+4n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair