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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'AMP deaminase'   
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
AMP deaminase 2


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (rAMPD1)


(Rattus norvegicus (Rat))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/s2
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (mAMPD1)


(Mus musculus (Mouse))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/s2
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (mAMPD1)


(Mus musculus (Mouse))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/s2
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (rAMPD1)


(Rattus norvegicus (Rat))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1


(Oryctolagus cuniculus)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
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AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 75n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


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


(Arabidopsis thaliana)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
PDB
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n/an/a 100n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Pisum sativum (pea) adenylate deaminase


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/s2
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (rAMPD3)


(Rattus norvegicus (Rat))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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TBA

Assay Description
Inhibition of human skeletal muscle AMPD1


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 570n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154581
PNG
(6-[4-({[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/s2
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50385586
PNG
(CHEMBL2042530)
Show SMILES OC(=O)c1cc(CCc2cnc3cncnn23)c2CCCCc2c1
Show InChI InChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24)
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (mAMPD1)


(Mus musculus (Mouse))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 4.50E+3n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (rAMPD1)


(Rattus norvegicus (Rat))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 5.80E+3n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 7.30E+3n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 9.20E+3n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 3.20E+4n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 3.20E+4n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (rAMPD3)


(Rattus norvegicus (Rat))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
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n/an/a 4.40E+4n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50385587
PNG
(CHEMBL2042529)
Show SMILES OC(=O)c1cccc(CCc2cnc3cncnn23)c1
Show InChI InChI=1S/C14H12N4O2/c19-14(20)11-3-1-2-10(6-11)4-5-12-7-16-13-8-15-9-17-18(12)13/h1-3,6-9H,4-5H2,(H,19,20)
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n/an/a 3.70E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096166
PNG
(1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12
Show InChI InChI=1S/C26H28N4O4/c31-22-13-27-15-28-25-23(22)29-16-30(25)11-10-18-12-21(26(32)33)24(20-9-5-4-8-19(18)20)34-14-17-6-2-1-3-7-17/h1-3,6-7,12,15-16,22,31H,4-5,8-11,13-14H2,(H,27,28)(H,32,33)
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9n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096165
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O
Show InChI InChI=1S/C19H22N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h7-8,10-11,16,24H,1-6,9H2,(H,20,21)(H,25,26)
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096165
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O
Show InChI InChI=1S/C19H22N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h7-8,10-11,16,24H,1-6,9H2,(H,20,21)(H,25,26)
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15n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096169
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccccc12)C(O)=O
Show InChI InChI=1S/C19H18N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h1-4,7-8,10-11,16,24H,5-6,9H2,(H,20,21)(H,25,26)
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20n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087401
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-4-13(8-14)9-20(18(30)31,19(32)33)6-1-2-7-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-5,8,11-12,15,29H,1-2,6-7,9-10H2,(H,25,26)(H,30,31)(H,32,33)
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29n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096170
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O
Show InChI InChI=1S/C20H24N4O4/c1-28-18-14-5-3-2-4-13(14)12(8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)
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30n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087407
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096167
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O
Show InChI InChI=1S/C20H24N4O4/c1-28-18-14(13-5-3-2-4-12(13)8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087409
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)
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41n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096164
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12
Show InChI InChI=1S/C19H20Cl2N4O3/c20-15-11-4-2-1-3-10(11)12(16(21)14(15)19(27)28)5-6-25-9-24-17-13(26)7-22-8-23-18(17)25/h8-9,13,26H,1-7H2,(H,22,23)(H,27,28)
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50n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096171
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CC(C)Oc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O
Show InChI InChI=1S/C22H28N4O4/c1-13(2)30-20-16-6-4-3-5-15(16)14(9-17(20)22(28)29)7-8-26-12-25-19-18(27)10-23-11-24-21(19)26/h9,11-13,18,27H,3-8,10H2,1-2H3,(H,23,24)(H,28,29)
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90n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087411
PNG
(2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N4O5/c25-15-11-21-12-22-17-16(15)23-13-24(17)9-5-4-8-20(18(26)27,19(28)29)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,25H,4-5,8-11H2,(H,21,22)(H,26,27)(H,28,29)
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170n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096175
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2c(cccc12)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)15-3-1-2-13-11(6-12(19(29)30)7-14(13)15)4-5-27-10-26-17-16(28)8-24-9-25-18(17)27/h1-3,6-7,9-10,16,28H,4-5,8H2,(H,24,25)(H,29,30)
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220n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087408
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)28-16-8-7-15-27(28)19-34(32(44)46-21-25-11-3-1-4-12-25,33(45)47-22-26-13-5-2-6-14-26)17-9-10-18-42-24-41-30-29(43)20-39-23-40-31(30)42/h1-8,11-16,23-24,29,43H,9-10,17-22H2,(H,39,40)
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250n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096162
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(=O)OCc2ccccc2)c(Cl)c2CCCCc12
Show InChI InChI=1S/C26H26Cl2N4O3/c27-22-18-9-5-4-8-17(18)19(10-11-32-15-31-24-20(33)12-29-14-30-25(24)32)23(28)21(22)26(34)35-13-16-6-2-1-3-7-16/h1-3,6-7,14-15,20,33H,4-5,8-13H2,(H,29,30)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087295
PNG
(2-(2-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C19H23BrN4O3/c20-15-7-2-1-5-13(15)9-14(19(26)27)6-3-4-8-24-12-23-17-16(25)10-21-11-22-18(17)24/h1-2,5,7,11-12,14,16,25H,3-4,6,8-10H2,(H,21,22)(H,26,27)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096168
PNG
(1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OCc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c1-2-35-28(34)23-14-20(12-13-32-18-31-25-24(33)15-29-17-30-27(25)32)21-10-6-7-11-22(21)26(23)36-16-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,24,33H,2,6-7,10-13,15-16H2,1H3,(H,29,30)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087414
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)
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360n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087405
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)
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360n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
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410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
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410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096157
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES CCOC(=O)c1c(Cl)c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Cl
Show InChI InChI=1S/C21H24Cl2N4O3/c1-2-30-21(29)16-17(22)13-6-4-3-5-12(13)14(18(16)23)7-8-27-11-26-19-15(28)9-24-10-25-20(19)27/h10-11,15,28H,2-9H2,1H3,(H,24,25)
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500n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087377
PNG
(3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C15H16N4O3/c20-12-7-16-8-17-14-13(12)18-9-19(14)5-4-10-2-1-3-11(6-10)15(21)22/h1-3,6,8-9,12,20H,4-5,7H2,(H,16,17)(H,21,22)
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500n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)

More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087328
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C19H23BrN4O3/c20-15-6-3-4-13(9-15)8-14(19(26)27)5-1-2-7-24-12-23-17-16(25)10-21-11-22-18(17)24/h3-4,6,9,11-12,14,16,25H,1-2,5,7-8,10H2,(H,21,22)(H,26,27)
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790n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)

More data for this
Ligand-Target Pair
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