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PubMed code 1578487

Compile data set for download or QSAR
Found 12 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
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005795
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
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67n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50368609
PNG
(CHEMBL604660)
Show SMILES O[C@@H]1[C@@H](CI)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H12IN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1
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176n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50368611
PNG
(CHEMBL604864)
Show SMILES O[C@@H]1[C@@H](CCl)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H12ClN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1
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200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005916
PNG
(2,6-diamino-7-(thien-3-ylmethyl)-3,5-dihydro-4H-py...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccsc1
Show InChI InChI=1S/C11H11N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3,12H2,(H3,13,15,16,17)
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830n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50368608
PNG
(CHEMBL604827)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10?/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50368610
PNG
(CHEMBL605447)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O5/c12-11-14-5-3(1-13-6(5)10(19)15-11)9-8(18)7(17)4(2-16)20-9/h1,4,7-9,13,16-18H,2H2,(H3,12,14,15,19)/t4-,7-,8-,9?/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005916
PNG
(2,6-diamino-7-(thien-3-ylmethyl)-3,5-dihydro-4H-py...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccsc1
Show InChI InChI=1S/C11H11N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3,12H2,(H3,13,15,16,17)
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005924
PNG
(2,6-Diamino-7-thiophen-2-ylmethyl-3,5-dihydro-pyrr...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1cccs1
Show InChI InChI=1S/C11H11N5OS/c12-9-6(4-5-2-1-3-18-5)7-8(14-9)10(17)16-11(13)15-7/h1-3,14H,4,12H2,(H3,13,15,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50404028
PNG
(CHEMBL2021376)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005919
PNG
(2,6-Diamino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyr...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccccc1
Show InChI InChI=1S/C13H13N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h1-5,16H,6,14H2,(H3,15,17,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005918
PNG
(2,6-Diamino-7-furan-2-ylmethyl-3,5-dihydro-pyrrolo...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccco1
Show InChI InChI=1S/C11H11N5O2/c12-9-6(4-5-2-1-3-18-5)7-8(14-9)10(17)16-11(13)15-7/h1-3,14H,4,12H2,(H3,13,15,16,17)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005921
PNG
(2,6-Diamino-7-(2-methoxy-benzyl)-3,5-dihydro-pyrro...)
Show SMILES COc1ccccc1Cc1c(N)[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C14H15N5O2/c1-21-9-5-3-2-4-7(9)6-8-10-11(17-12(8)15)13(20)19-14(16)18-10/h2-5,17H,6,15H2,1H3,(H3,16,18,19,20)
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n/an/a 3.14E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP)


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