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PubMed code 20716488

Compile data set for download or QSAR
Found 7 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
Guanine deaminase


(Homo sapiens (Human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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Article
PubMed
1.88E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM82009
PNG
(CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)
Show SMILES O=c1[nH]c2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
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Article
PubMed
1.96E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50325823
PNG
(CHEMBL1224659 | N-2-Acetylguanine)
Show SMILES CC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
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Article
PubMed
3.44E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50325824
PNG
(1H-purine-2,6,8(3H,7H,9H)-trione | 7,9-Dihydro-3H-...)
Show SMILES O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
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PubMed
4.34E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM7957
PNG
(4-amino-1H-imidazole-5-carboxamide | 5-Amino-3H-im...)
Show SMILES NC(=O)c1[nH]cnc1N
Show InChI InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
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Article
PubMed
4.44E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM82522
PNG
(7-MethylX | 7-Methylxanthine | CAS_552-62-5 | CHEM...)
Show SMILES Cn1cnc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
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Article
PubMed
5.55E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%