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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'berry' and Initial = 'da'   
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))
BDBM50022243
PNG
(2,8-Diamino-1,9-dihydro-purin-6-one | 8-AMINOGUANI...)
Show SMILES Nc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
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 |r|
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



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50200094
PNG
(2-amino-1,9-dihydro-6H-purin-6-one | CHEMBL219568 ...)
Show SMILES Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50022253
PNG
(2,6-Diamino-1,5-dihydro-imidazo[4,5-c]pyridin-4-on...)
Show SMILES Nc1nc2c(cc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C6H7N5O/c7-3-1-2-4(5(12)10-3)11-6(8)9-2/h1H,(H3,7,10,12)(H3,8,9,11)
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n/an/a 9.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50022256
PNG
(6-Amino-1,5-dihydro-imidazo[4,5-c]pyridin-4-one | ...)
Show SMILES Nc1cc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)
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n/an/a 7.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50225889
PNG
(CHEMBL3144008)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15|
Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,6-9,14-17H,1H2/t3-,6?,7-,8-,9+/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50367286
PNG
(CHEMBL3245950 | CHEMBL605683)
Show SMILES Nc1cc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H14N4O5/c12-6-1-4-7(10(19)14-6)13-3-15(4)11-9(18)8(17)5(2-16)20-11/h1,3,5,8-9,11,16-18H,2H2,(H3,12,14,19)/t5-,8-,9-,11?/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair