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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'AMP deaminase 2'   
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 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 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 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 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 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 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
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087304
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)
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800n/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 2


(Homo sapiens (Human))
BDBM50087304
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)
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800n/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 2


(Homo sapiens (Human))
BDBM50087331
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CC(C)CC(CCCCn1cnc2C(O)CNC=Nc12)(CC(C)C)C(O)=O
Show InChI InChI=1S/C20H34N4O3/c1-14(2)9-20(19(26)27,10-15(3)4)7-5-6-8-24-13-23-17-16(25)11-21-12-22-18(17)24/h12-16,25H,5-11H2,1-4H3,(H,21,22)(H,26,27)
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860n/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 2


(Homo sapiens (Human))
BDBM50087291
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c29-20-15-25-16-26-22-21(20)27-17-28(22)14-8-7-13-24(23(30)31,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20,29H,7-8,13-15H2,(H,25,26)(H,30,31)
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920n/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 2


(Homo sapiens (Human))
BDBM50087321
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C20H24N4O3/c25-16-11-21-12-22-18-17(16)23-13-24(18)8-4-3-7-20(19(26)27)9-14-5-1-2-6-15(14)10-20/h1-2,5-6,12-13,16,25H,3-4,7-11H2,(H,21,22)(H,26,27)
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970n/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 2


(Homo sapiens (Human))
BDBM50087296
PNG
(2-(4-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C19H23BrN4O3/c20-15-6-4-13(5-7-15)9-14(19(26)27)3-1-2-8-24-12-23-17-16(25)10-21-11-22-18(17)24/h4-7,11-12,14,16,25H,1-3,8-10H2,(H,21,22)(H,26,27)
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1.10E+3n/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 2


(Homo sapiens (Human))
BDBM50087290
PNG
(2-(3-Chloro-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-im...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C19H23ClN4O3/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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1.40E+3n/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 2


(Homo sapiens (Human))
BDBM50087310
PNG
(2-(4-Chloro-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-im...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C19H23ClN4O3/c20-15-6-4-13(5-7-15)9-14(19(26)27)3-1-2-8-24-12-23-17-16(25)10-21-11-22-18(17)24/h4-7,11-12,14,16,25H,1-3,8-10H2,(H,21,22)(H,26,27)
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1.70E+3n/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 2


(Homo sapiens (Human))
BDBM50087298
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3/c23-15-10-19-11-20-17-16(15)21-12-22(17)9-5-4-8-14(18(24)25)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15,23H,4-5,8-10H2,(H,19,20)(H,24,25)
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2.10E+3n/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 2


(Homo sapiens (Human))
BDBM50087329
PNG
(2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H21BrN4O3/c19-13-5-3-4-12(8-13)14(18(25)26)6-1-2-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h3-5,8,10-11,14-15,24H,1-2,6-7,9H2,(H,20,21)(H,25,26)
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2.40E+3n/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 2


(Homo sapiens (Human))
BDBM50087324
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1
Show InChI InChI=1S/C22H29BrN4O3/c1-3-30-21(29)22(2,12-16-7-6-8-17(23)11-16)9-4-5-10-27-15-26-19-18(28)13-24-14-25-20(19)27/h6-8,11,14-15,18,28H,3-5,9-10,12-13H2,1-2H3,(H,24,25)
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3.00E+3n/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 2


(Homo sapiens (Human))
BDBM50087309
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1
Show InChI InChI=1S/C21H27BrN4O3/c1-2-29-21(28)16(10-15-6-5-8-17(22)11-15)7-3-4-9-26-14-25-19-18(27)12-23-13-24-20(19)26/h5-6,8,11,13-14,16,18,27H,2-4,7,9-10,12H2,1H3,(H,23,24)
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3.80E+3n/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 2


(Homo sapiens (Human))
BDBM50087334
PNG
(CHEMBL37028 | Sodium; 6-(8-hydroxy-7,8-dihydro-6H-...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCC([O-])=O
Show InChI InChI=1S/C12H18N4O3/c17-9-6-13-7-14-12-11(9)15-8-16(12)5-3-1-2-4-10(18)19/h7-9,17H,1-6H2,(H,13,14)(H,18,19)/p-1
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4.20E+3n/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 2


(Homo sapiens (Human))
BDBM50087322
PNG
(3-[5-(1H-Tetrazol-5-yl)-pentyl]-3,6,7,8-tetrahydro...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCc1nnn[nH]1
Show InChI InChI=1S/C12H18N8O/c21-9-6-13-7-14-12-11(9)15-8-20(12)5-3-1-2-4-10-16-18-19-17-10/h7-9,21H,1-6H2,(H,13,14)(H,16,17,18,19)
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6.00E+3n/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 2


(Homo sapiens (Human))
BDBM50087294
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O
Show InChI InChI=1S/C14H22N4O3/c1-14(2,13(20)21)5-3-4-6-18-9-17-11-10(19)7-15-8-16-12(11)18/h8-10,19H,3-7H2,1-2H3,(H,15,16)(H,20,21)
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8.20E+3n/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 2


(Homo sapiens (Human))
BDBM50087327
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1ccccc1
Show InChI InChI=1S/C20H26N4O3/c1-2-27-20(26)16(15-8-4-3-5-9-15)10-6-7-11-24-14-23-18-17(25)12-21-13-22-19(18)24/h3-5,8-9,13-14,16-17,25H,2,6-7,10-12H2,1H3,(H,21,22)
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9.60E+3n/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 2


(Homo sapiens (Human))
BDBM50087333
PNG
(2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1cccc(Br)c1
Show InChI InChI=1S/C20H25BrN4O3/c1-2-28-20(27)16(14-6-5-7-15(21)10-14)8-3-4-9-25-13-24-18-17(26)11-22-12-23-19(18)25/h5-7,10,12-13,16-17,26H,2-4,8-9,11H2,1H3,(H,22,23)
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9.70E+3n/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 2


(Homo sapiens (Human))
BDBM50087325
PNG
(7-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCCC(O)=O
Show InChI InChI=1S/C13H20N4O3/c18-10-7-14-8-15-13-12(10)16-9-17(13)6-4-2-1-3-5-11(19)20/h8-10,18H,1-7H2,(H,14,15)(H,19,20)
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1.00E+4n/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 2


(Homo sapiens (Human))
BDBM50087312
PNG
(3-Hexyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C12H20N4O/c1-2-3-4-5-6-16-9-15-11-10(17)7-13-8-14-12(11)16/h8-10,17H,2-7H2,1H3,(H,13,14)
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2.00E+4n/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 2


(Homo sapiens (Human))
BDBM50087316
PNG
(CHEMBL35767 | [5-(8-Hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCP(O)(O)=O
Show InChI InChI=1S/C11H19N4O4P/c16-9-6-12-7-13-11-10(9)14-8-15(11)4-2-1-3-5-20(17,18)19/h7-9,16H,1-6H2,(H,12,13)(H2,17,18,19)
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3.50E+4n/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 2


(Homo sapiens (Human))
BDBM50087293
PNG
(3-(5-Hydroxy-pentyl)-3,6,7,8-tetrahydro-imidazo[4,...)
Show SMILES OCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C11H18N4O2/c16-5-3-1-2-4-15-8-14-10-9(17)6-12-7-13-11(10)15/h7-9,16-17H,1-6H2,(H,12,13)
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3.60E+4n/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 2


(Homo sapiens (Human))
BDBM50087299
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CCOC(=O)CCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C14H22N4O3/c1-2-21-12(20)6-4-3-5-7-18-10-17-13-11(19)8-15-9-16-14(13)18/h9-11,19H,2-8H2,1H3,(H,15,16)
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4.40E+4n/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 2


(Homo sapiens (Human))
BDBM50087326
PNG
(3-(4-Hydroxy-butyl)-3,6,7,8-tetrahydro-imidazo[4,5...)
Show SMILES OCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C10H16N4O2/c15-4-2-1-3-14-7-13-9-8(16)5-11-6-12-10(9)14/h6-8,15-16H,1-5H2,(H,11,12)
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5.30E+4n/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 2


(Homo sapiens (Human))
BDBM50087320
PNG
(7-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CCOC(=O)CCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C15H24N4O3/c1-2-22-13(21)7-5-3-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-12,20H,2-9H2,1H3,(H,16,17)
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5.50E+4n/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 2


(Homo sapiens (Human))
BDBM50087305
PNG
(CHEMBL34434 | [6-(8-Hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCCP(O)(O)=O
Show InChI InChI=1S/C12H21N4O4P/c17-10-7-13-8-14-12-11(10)15-9-16(12)5-3-1-2-4-6-21(18,19)20/h8-10,17H,1-7H2,(H,13,14)(H2,18,19,20)
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5.50E+4n/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 2


(Homo sapiens (Human))
BDBM50087330
PNG
(5-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES COC(=O)CCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C12H18N4O3/c1-19-10(18)4-2-3-5-16-8-15-11-9(17)6-13-7-14-12(11)16/h7-9,17H,2-6H2,1H3,(H,13,14)
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6.30E+4n/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 2


(Homo sapiens (Human))
BDBM50087300
PNG
(3-(6-Hydroxy-hexyl)-3,6,7,8-tetrahydro-imidazo[4,5...)
Show SMILES OCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C12H20N4O2/c17-6-4-2-1-3-5-16-9-15-11-10(18)7-13-8-14-12(11)16/h8-10,17-18H,1-7H2,(H,13,14)
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6.40E+4n/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 2


(Homo sapiens (Human))
BDBM50087315
PNG
(3-(3-Hydroxy-propyl)-3,6,7,8-tetrahydro-imidazo[4,...)
Show SMILES OCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C9H14N4O2/c14-3-1-2-13-6-12-8-7(15)4-10-5-11-9(8)13/h5-7,14-15H,1-4H2,(H,10,11)
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6.80E+4n/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 2


(Homo sapiens (Human))
BDBM50087318
PNG
(3-Butyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C10H16N4O/c1-2-3-4-14-7-13-9-8(15)5-11-6-12-10(9)14/h6-8,15H,2-5H2,1H3,(H,11,12)
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8.40E+4n/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 2


(Homo sapiens (Human))
BDBM50087297
PNG
(3-Benzyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2Cc1ccccc1
Show InChI InChI=1S/C13H14N4O/c18-11-6-14-8-15-13-12(11)16-9-17(13)7-10-4-2-1-3-5-10/h1-5,8-9,11,18H,6-7H2,(H,14,15)
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>1.25E+5n/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 2


(Homo sapiens (Human))
BDBM50087314
PNG
(3-Propyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]dia...)
Show SMILES CCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C9H14N4O/c1-2-3-13-6-12-8-7(14)4-10-5-11-9(8)13/h5-7,14H,2-4H2,1H3,(H,10,11)
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>1.25E+5n/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 2


(Homo sapiens (Human))
BDBM50087335
PNG
(3-Ethyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C8H12N4O/c1-2-12-5-11-7-6(13)3-9-4-10-8(7)12/h4-6,13H,2-3H2,1H3,(H,9,10)
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>1.25E+5n/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 2


(Homo sapiens (Human))
BDBM50087319
PNG
(CHEMBL36488 | Sodium; 5-(8-hydroxy-7,8-dihydro-6H-...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC([O-])=O
Show InChI InChI=1S/C11H16N4O3/c16-8-5-12-6-13-11-10(8)14-7-15(11)4-2-1-3-9(17)18/h6-8,16H,1-5H2,(H,12,13)(H,17,18)/p-1
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>1.25E+5n/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 2


(Homo sapiens (Human))
BDBM50087302
PNG
(4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCC#N
Show InChI InChI=1S/C10H13N5O/c11-3-1-2-4-15-7-14-9-8(16)5-12-6-13-10(9)15/h6-8,16H,1-2,4-5H2,(H,12,13)
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>1.25E+5n/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 2


(Homo sapiens (Human))
BDBM50087306
PNG
(CHEMBL36692 | [6-(8-Hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES COP(O)(=O)CCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C13H23N4O4P/c1-21-22(19,20)7-5-3-2-4-6-17-10-16-12-11(18)8-14-9-15-13(12)17/h9-11,18H,2-8H2,1H3,(H,14,15)(H,19,20)
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1.40E+5n/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 2


(Homo sapiens (Human))
BDBM50087292
PNG
(3-(2-Hydroxy-ethyl)-3,6,7,8-tetrahydro-imidazo[4,5...)
Show SMILES OCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C8H12N4O2/c13-2-1-12-5-11-7-6(14)3-9-4-10-8(7)12/h4-6,13-14H,1-3H2,(H,9,10)
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1.50E+5n/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 2


(Homo sapiens (Human))
BDBM50087308
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES NC(=O)CCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C12H19N5O2/c13-10(19)4-2-1-3-5-17-8-16-11-9(18)6-14-7-15-12(11)17/h7-9,18H,1-6H2,(H2,13,19)(H,14,15)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.80E+5n/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 2


(Homo sapiens (Human))
BDBM50087323
PNG
(5-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC#N
Show InChI InChI=1S/C11H15N5O/c12-4-2-1-3-5-16-8-15-10-9(17)6-13-7-14-11(10)16/h7-9,17H,1-3,5-6H2,(H,13,14)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.40E+5n/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