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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 224.2
BDBM50087326
Wt: 265.2
BDBM50087334
Wt: 180.2
BDBM50087335
Wt: 196.2
BDBM50087292
Wt: 238.2
BDBM50087293
Wt: 242.2
BDBM50087297
Wt: 252.3
BDBM50087300
Wt: 219.2
BDBM50087302
Wt: 265.3
BDBM50087308
Wt: 236.3
BDBM50087312
Wt: 194.2
BDBM50087314
Wt: 210.2
BDBM50087315
Wt: 208.2
BDBM50087318
Wt: 251.2
BDBM50087319
Wt: 233.2
BDBM50087323
Displayed 1 to 15 (of 42 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 30 hits in this display   
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
Adenosine deaminase


(Bos taurus (bovine))
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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Article
PubMed
480n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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)
PDB
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3.60E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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4.70E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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)
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5.90E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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6.00E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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6.30E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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)
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1.40E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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1.70E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>2.00E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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2.80E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)
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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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
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)
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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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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2.80E+5n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair