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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'gulab' and Initial = 'sa'   
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
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390240
PNG
(CHEMBL1195586)
Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/t6-,8+,10-,11+/m1/s1
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1n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390242
PNG
(CHEMBL2070308)
Show SMILES CSC[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)/t8-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390245
PNG
(CHEMBL2070311)
Show SMILES CSC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390244
PNG
(CHEMBL2070310)
Show SMILES CSCC(CO)CNCc1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C12H19N5OS/c1-19-6-8(5-18)2-14-3-9-4-15-11-10(9)16-7-17-12(11)13/h4,7-8,14-15,18H,2-3,5-6H2,1H3,(H2,13,16,17)
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10n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390255
PNG
(CHEMBL2070405)
Show SMILES CSC[C@@H](CN(C)Cc1c[nH]c2c(N)ncnc12)[C@@H](O)CO |r|
Show InChI InChI=1S/C14H23N5O2S/c1-19(5-10(7-22-2)11(21)6-20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20-21H,4-7H2,1-2H3,(H2,15,17,18)/t10-,11+/m1/s1
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12n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390241
PNG
(CHEMBL2070307)
Show SMILES CSCC(CO)NCc1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)
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12n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390243
PNG
(CHEMBL2070309)
Show SMILES CSC[C@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)/t8-/m0/s1
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390251
PNG
(CHEMBL2070404)
Show SMILES CSC[C@@H](C[NH2+]Cc1c[nH]c2c(N)ncnc12)[C@@H](O)CO |r|
Show InChI InChI=1S/C13H21N5O2S/c1-21-6-9(10(20)5-19)3-15-2-8-4-16-12-11(8)17-7-18-13(12)14/h4,7,9-10,15-16,19-20H,2-3,5-6H2,1H3,(H2,14,17,18)/p+1/t9-,10+/m1/s1
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390249
PNG
(CHEMBL2070402)
Show SMILES CSCC(CO)(CO)NCc1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C12H19N5O2S/c1-20-6-12(4-18,5-19)17-3-8-2-14-10-9(8)15-7-16-11(10)13/h2,7,14,17-19H,3-6H2,1H3,(H2,13,15,16)
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390248
PNG
(CHEMBL2070401)
Show SMILES CSC[C@@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9+/m0/s1
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390246
PNG
(CHEMBL2070312)
Show SMILES CSC[C@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9-/m0/s1
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87n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390247
PNG
(CHEMBL2070400)
Show SMILES CSC[C@H](O)[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9+/m1/s1
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87n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390252
PNG
(CHEMBL2070406)
Show SMILES CSC[C@H](O)[C@@H](CO)CN(C)Cc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N5O2S/c1-19(5-10(6-20)11(21)7-22-2)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20-21H,4-7H2,1-2H3,(H2,15,17,18)/t10-,11+/m1/s1
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105n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390254
PNG
(CHEMBL2070408)
Show SMILES CSC[C@H](CO)N[C@H](CO)c1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N5O2S/c1-20-5-7(3-18)17-9(4-19)8-2-14-11-10(8)15-6-16-12(11)13/h2,6-7,9,14,17-19H,3-5H2,1H3,(H2,13,15,16)/t7-,9+/m0/s1
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130n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390253
PNG
(CHEMBL2070407)
Show SMILES CSC[C@H](O)[C@@H](O)CN(C)Cc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H21N5O2S/c1-18(5-9(19)10(20)6-21-2)4-8-3-15-12-11(8)16-7-17-13(12)14/h3,7,9-10,15,19-20H,4-6H2,1-2H3,(H2,14,16,17)/t9-,10-/m0/s1
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368n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50390250
PNG
(CHEMBL2070403)
Show SMILES CSC[C@@H](O)CNCc1c[nH]c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(17)4-13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)/t8-/m0/s1
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602n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)


Article DOI: 10.1016/j.bmc.2012.07.006
BindingDB Entry DOI: 10.7270/Q2XG9S6F
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293091
PNG
(7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL...)
Show SMILES OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1
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Patents

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US Patent
n/an/an/a 0.00860n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293063
PNG
(7-{[(1,3-Dihydroxypropan-2-yl)(2-hydroxyethyl)amin...)
Show SMILES OCCN(Cc1c[nH]c2c1nc[nH]c2=O)C(CO)CO
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(9(5-18)6-19)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)
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US Patent
n/an/an/a 0.469n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293068
PNG
(7-{[(2-Hydroxyethyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15)
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n/an/an/a 1.10n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293077
PNG
(7-{[(4-Hydroxybutyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2/c16-4-2-1-3-12-5-8-6-13-10-9(8)14-7-15-11(10)17/h6-7,12-13,16H,1-5H2,(H,14,15,17)
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n/an/an/a 25n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293075
PNG
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl]amino}methy...)
Show SMILES OCC(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O3/c16-4-7(5-17)1-12-2-8-3-13-10-9(8)14-6-15-11(10)18/h3,6-7,12-13,16-17H,1-2,4-5H2,(H,14,15,18)
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n/an/an/a 14.1n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293070
PNG
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl](methyl)ami...)
Show SMILES CN(CC(CO)CO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3/c1-16(3-8(5-17)6-18)4-9-2-13-11-10(9)14-7-15-12(11)19/h2,7-8,13,17-18H,3-6H2,1H3,(H,14,15,19)
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n/an/an/a 3.70n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293064
PNG
(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
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n/an/an/a 0.620n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136302
PNG
(US8853224, 12 | US9290501, MT-TrisMe-ImmH)
Show SMILES CSCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3S/c1-20-6-12(4-17,5-18)16-3-8-2-13-10-9(8)14-7-15-11(10)19/h2,7,13,16-18H,3-6H2,1H3,(H,14,15,19)
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n/an/an/a 3n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293076
PNG
(7-({[(2R)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)
Show SMILES OC[C@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m1/s1
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n/an/an/a 14.9n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136303
PNG
(US8853224, 3.4)
Show SMILES OC[C@H](O)CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1
Show InChI InChI=1S/C17H20N4O3/c22-10-14(23)9-21(7-12-4-2-1-3-5-12)8-13-6-18-16-15(13)19-11-20-17(16)24/h1-6,11,14,18,22-23H,7-10H2,(H,19,20,24)/t14-/m1/s1
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n/an/an/a 300n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293079
PNG
(7-({[(2S)-2,3-Dihydroxypropyl](2-hydroxyethyl)amin...)
Show SMILES OCCN(C[C@@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(5-9(19)6-18)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)/t9-/m1/s1
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n/an/an/a 165n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293071
PNG
(7-({[(2S)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)
Show SMILES OC[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m0/s1
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n/an/an/a 4.20n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293081
PNG
(7-({[(2R)-2,3-Dihydroxypropyl](2-hydroxyethyl)amin...)
Show SMILES OCCN(C[C@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(5-9(19)6-18)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)/t9-/m0/s1
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n/an/an/a 96n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293073
PNG
(7-({[(2S,3S)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m0/s1
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n/an/an/a 5.20n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293072
PNG
(7-({[(2R,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m1/s1
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n/an/an/a 4.30n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293067
PNG
(7-({[(2S,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m0/s1
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n/an/an/a 1n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293078
PNG
(7-({[(2S,3R)-2,3,4-Trihydroxybutyl]amino}methyl)-3...)
Show SMILES OC[C@@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-4-8(18)7(17)3-12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m0/s1
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n/an/an/a 31n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136304
PNG
(US8853224, 20.5)
Show SMILES OCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1/C11H16N4O4/c16-4-8(18)7(17)3-12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)
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n/an/an/a 84n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293083
PNG
(7-({[(2R/S)-2,4-Dihydroxybutyl](methyl)amino}methy...)
Show SMILES CN(CC(O)CCO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3/c1-16(6-9(18)2-3-17)5-8-4-13-11-10(8)14-7-15-12(11)19/h4,7,9,13,17-18H,2-3,5-6H2,1H3,(H,14,15,19)
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n/an/an/a 227n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293085
PNG
(7-({[(2R/S,3S/R)-3,4-Dihydroxy-2-(hydroxymethyl)bu...)
Show SMILES OCC(O)C(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O4/c17-4-8(9(19)5-18)2-13-1-7-3-14-11-10(7)15-6-16-12(11)20/h3,6,8-9,13-14,17-19H,1-2,4-5H2,(H,15,16,20)
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n/an/an/a 0.780n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136305
PNG
(US8853224, 22)
Show SMILES OC[C@@H](O)C(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O4/c17-4-8(9(19)5-18)2-13-1-7-3-14-11-10(7)15-6-16-12(11)20/h3,6,8-9,13-14,17-19H,1-2,4-5H2,(H,15,16,20)/t8?,9-/m1/s1
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n/an/an/a 900n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136306
PNG
(US8853224, 24)
Show SMILES CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9+/m0/s1
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n/an/an/a 15n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136307
PNG
(US8853224, 25)
Show SMILES CSC[C@@H](NCc1c[nH]c2c(O)ncnc12)[C@@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9+/m1/s1
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n/an/an/a 74n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136308
PNG
(US8853224, 26)
Show SMILES CSC[C@@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m1/s1
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n/an/an/a 71n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136309
PNG
(US8853224, 27)
Show SMILES CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m0/s1
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n/an/an/a 142n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136310
PNG
(US8853224, 28)
Show SMILES CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C13H20N4O3S/c1-21-6-9(10(19)5-18)3-14-2-8-4-15-12-11(8)16-7-17-13(12)20/h4,7,9-10,14-15,18-19H,2-3,5-6H2,1H3,(H,16,17,20)/t9?,10-/m1/s1
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n/an/an/a 5.60n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136311
PNG
(US8853224, 23)
Show SMILES CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)C(O)CO
Show InChI InChI=1/C13H20N4O3S/c1-21-6-9(10(19)5-18)3-14-2-8-4-15-12-11(8)16-7-17-13(12)20/h4,7,9-10,14-15,18-19H,2-3,5-6H2,1H3,(H,16,17,20)
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n/an/an/a 159n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136312
PNG
(US8853224, 29)
Show SMILES CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO
Show InChI InChI=1S/C20H26N4O3S/c1-28-12-16(17(26)11-25)10-24(8-14-5-3-2-4-6-14)9-15-7-21-19-18(15)22-13-23-20(19)27/h2-7,13,16-17,21,25-26H,8-12H2,1H3,(H,22,23,27)/t16?,17-/m1/s1
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n/an/an/a 22n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136313
PNG
(US8853224, 19)
Show SMILES CSC[C@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-9(18)8(17)4-13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m0/s1
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n/an/an/a 51n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136314
PNG
(US8853224, 20.8)
Show SMILES CSCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1/C12H18N4O3S/c1-20-5-9(18)8(17)4-13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)
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n/an/an/a 789n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50293060
PNG
(7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...)
Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1
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n/an/an/a 0.210n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293068
PNG
(7-{[(2-Hydroxyethyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15)
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n/an/an/a 430n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293077
PNG
(7-{[(4-Hydroxybutyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2/c16-4-2-1-3-12-5-8-6-13-10-9(8)14-7-15-11(10)17/h6-7,12-13,16H,1-5H2,(H,14,15,17)
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n/an/an/a 770n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
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