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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50018413   
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))
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
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PC sid
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Patents


Similars

MMDB
PDB
n/an/a 0.0600n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50608145
PNG
(CHEMBL5282677)
Show SMILES OC[C@H]1N[C@@H](Cc2cc3nc[nH]c(=O)c3[nH]2)[C@H](O)[C@@H]1O |r|
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PC cid
PC sid
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n/an/a 0.900n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50608149
PNG
(CHEMBL5273669)
Show SMILES OC[C@H]1N[C@H](C[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
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PC cid
PC sid
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n/an/a 0.900n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50608147
PNG
(CHEMBL5280395)
Show SMILES NC(=O)[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
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PC cid
PC sid
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n/an/a 1.90n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50608148
PNG
(CHEMBL5290077)
Show SMILES O[C@@H]1[C@@H](CF)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
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PC cid
PC sid
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n/an/a 4.60n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50608146
PNG
(CHEMBL5281180)
Show SMILES C[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
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PC sid
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n/an/a 12n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50608144
PNG
(CHEMBL5283969)
Show SMILES O[C@H]1[C@@H](O)[C@@H](N[C@@H]1C(O)=O)c1c[nH]c2c1nc[nH]c2=O |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair