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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Guanine deaminase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50378883
PNG
(CHEMBL1645489)
Show SMILES OCC1(NC(=O)OCc2ccccc2)NC(=O)c2ncn(Cc3ccccc3)c2NC1=O
Show InChI InChI=1S/C22H21N5O5/c28-13-22(26-21(31)32-12-16-9-5-2-6-10-16)20(30)24-18-17(19(29)25-22)23-14-27(18)11-15-7-3-1-4-8-15/h1-10,14,28H,11-13H2,(H,24,30)(H,25,29)(H,26,31)
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1.67E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of guanase by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50193757
PNG
(3-benzyl-4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imi...)
Show SMILES OCC1NC(=O)c2ncn(Cc3ccccc3)c2NC1=O
Show InChI InChI=1S/C14H14N4O3/c19-7-10-13(20)17-12-11(14(21)16-10)15-8-18(12)6-9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H,16,21)(H,17,20)
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2.01E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver guanase


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50106015
PNG
(2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-te...)
Show SMILES Nc1nc(N)c2NCN(COCCO)c2c(=N)n1
Show InChI InChI=1S/C9H15N7O2/c10-7-5-6(8(11)15-9(12)14-7)16(3-13-5)4-18-2-1-17/h13,17H,1-4H2,(H5,10,11,12,14,15)
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2.97E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Guanine deaminase (guanase) from rabbit liver was determined


Bioorg Med Chem Lett 11: 2893-6 (2001)

More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50193756
PNG
(4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imidazo[4,5-...)
Show SMILES OCC1NC(=O)c2[nH]cnc2NC1=O
Show InChI InChI=1S/C7H8N4O3/c12-1-3-6(13)11-5-4(7(14)10-3)8-2-9-5/h2-3,12H,1H2,(H,8,9)(H,10,14)(H,11,13)
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5.36E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver guanase


Citation and Details
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50073384
PNG
(3-Benzyl-3H-imidazo[4,5-e][1,4]diazepine-6,8-dione...)
Show SMILES O=c1cnc2n(Cc3ccccc3)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H10N4O2/c18-10-6-14-12-11(13(19)16-10)15-8-17(12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,18,19)
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2.27E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory effect on rabbit liver guanase


Bioorg Med Chem Lett 8: 3649-52 (1999)

More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens)
BDBM50401837
PNG
(CHEMBL2203870)
Show SMILES OC1CNc2nc[nH]c2C(=O)N1
Show InChI InChI=1S/C6H8N4O2/c11-3-1-7-5-4(6(12)10-3)8-2-9-5/h2-3,7,11H,1H2,(H,8,9)(H,10,12)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of guanase


Citation and Details
More data for this
Ligand-Target Pair