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PubMed code 26275679

Compile data set for download or QSAR
Found 6 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))
BDBM50111505
PNG
(CHEMBL3604955)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)CO)cnc2c(=O)[nH]1
Show InChI InChI=1/C12H21N6O6P/c13-12-15-10-9(11(21)16-12)14-7-18(10)2-1-17(5-8(20)6-19)3-4-25(22,23)24/h7-8,19-20H,1-6H2,(H2,22,23,24)(H3,13,15,16,21)
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600n/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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50111506
PNG
(CHEMBL3603852)
Show SMILES Nc1nc2n(CCN(CCOCc3ccccc3)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C18H25N6O5P/c19-18-21-16-15(17(25)22-18)20-13-24(16)7-6-23(9-11-30(26,27)28)8-10-29-12-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,26,27,28)(H3,19,21,22,25)
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1.90E+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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
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)
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2.00E+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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50111507
PNG
(CHEMBL3604957)
Show SMILES OCC(O)CN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1/C12H20N5O6P/c18-6-9(19)5-16(3-4-24(21,22)23)1-2-17-8-15-10-11(17)13-7-14-12(10)20/h7-9,18-19H,1-6H2,(H,13,14,20)(H2,21,22,23)
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3.80E+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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50111508
PNG
(CHEMBL3604958)
Show SMILES OP(O)(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CP(O)(O)=O
Show InChI InChI=1S/C10H17N5O7P2/c16-10-8-9(11-5-12-10)15(6-13-8)2-1-14(7-24(20,21)22)3-4-23(17,18)19/h5-6H,1-4,7H2,(H,11,12,16)(H2,17,18,19)(H2,20,21,22)
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1.00E+4n/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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50111509
PNG
(CHEMBL3604959)
Show SMILES OP(O)(=O)CCN(CCOCc1ccccc1)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C18H24N5O5P/c24-18-16-17(19-13-20-18)23(14-21-16)7-6-22(9-11-29(25,26)27)8-10-28-12-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,19,20,24)(H2,25,26,27)
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1.30E+4n/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 assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%