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PubMed code 25915781

Compile data set for download or QSAR
Found 9 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))
BDBM50089450
PNG
(CHEMBL3578115)
Show SMILES OP(O)(=O)CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C15H29N6O10P3/c22-15-13-14(16-11-17-15)21(12-18-13)4-3-19(5-8-32(23,24)25)1-2-20(6-9-33(26,27)28)7-10-34(29,30)31/h11-12H,1-10H2,(H,16,17,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)
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10n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089444
PNG
(CHEMBL3578110)
Show SMILES Nc1nc2n(CCN(CCN(CCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C15H29N7O8P2/c16-15-18-13-12(14(24)19-15)17-11-22(13)4-3-20(6-9-31(25,26)27)1-2-21(5-8-23)7-10-32(28,29)30/h11,23H,1-10H2,(H2,25,26,27)(H2,28,29,30)(H3,16,18,19,24)
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30n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089449
PNG
(CHEMBL3578114)
Show SMILES Nc1nc2n(CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C15H30N7O10P3/c16-15-18-13-12(14(23)19-15)17-11-22(13)4-3-20(5-8-33(24,25)26)1-2-21(6-9-34(27,28)29)7-10-35(30,31)32/h11H,1-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H3,16,18,19,23)
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30n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089446
PNG
(CHEMBL3578112)
Show SMILES Nc1nc2n(CCN(CCN(CCCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C16H31N7O8P2/c17-16-19-14-13(15(25)20-16)18-12-23(14)6-5-22(8-11-33(29,30)31)4-3-21(2-1-9-24)7-10-32(26,27)28/h12,24H,1-11H2,(H2,26,27,28)(H2,29,30,31)(H3,17,19,20,25)
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40n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089445
PNG
(CHEMBL3578111)
Show SMILES OCCN(CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O)CCP(O)(O)=O
Show InChI InChI=1S/C15H28N6O8P2/c22-8-5-20(7-10-31(27,28)29)2-1-19(6-9-30(24,25)26)3-4-21-12-18-13-14(21)16-11-17-15(13)23/h11-12,22H,1-10H2,(H,16,17,23)(H2,24,25,26)(H2,27,28,29)
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500n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089448
PNG
(CHEMBL3578113)
Show SMILES OCCCN(CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O)CCP(O)(O)=O
Show InChI InChI=1S/C16H30N6O8P2/c23-9-1-2-20(7-10-31(25,26)27)3-4-21(8-11-32(28,29)30)5-6-22-13-19-14-15(22)17-12-18-16(14)24/h12-13,23H,1-11H2,(H,17,18,24)(H2,25,26,27)(H2,28,29,30)
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1.64E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089443
PNG
(CHEMBL3578109)
Show SMILES OP(O)(=O)CCOCC(Cn1cnc2c1nc[nH]c2=O)OCCP(O)(O)=O
Show InChI InChI=1/C12H20N4O9P2/c17-12-10-11(13-7-14-12)16(8-15-10)5-9(25-2-4-27(21,22)23)6-24-1-3-26(18,19)20/h7-9H,1-6H2,(H,13,14,17)(H2,18,19,20)(H2,21,22,23)
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4.00E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM19254
PNG
(IMP | Inosine | Inosinic acid | [(2R,3S,4R,5R)-3,4...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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5.40E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50010318
PNG
(CHEBI:17345 | CHEMBL283807)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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CHEMBL
KEGG
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PDB
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PDB
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PubMed
5.80E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%