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36 similar compounds to monomer 50087334

Compile data set for download or QSAR
Wt: 280.3
BDBM50087325
Wt: 224.2
BDBM50087326
Wt: 323.3
BDBM50087415
Wt: 380.4
BDBM50087416
Wt: 421.2
BDBM50087329
Wt: 266.2
BDBM50087330
Wt: 378.5
BDBM50087331
Wt: 356.4
BDBM50087332
Wt: 180.2
BDBM50087335
Wt: 418.4
BDBM50087291
Wt: 238.2
BDBM50087293
Wt: 294.3
BDBM50087294
Wt: 266.2
BDBM50087412
Wt: 342.3
BDBM50087298
Wt: 294.3
BDBM50087299
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50087325,50087326,50087415,50087416,50087329,50087330,50087331,50087332,50087335,50087291,50087293,50087294,50087412,50087298,50087299   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


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


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
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)


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


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


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


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


(Bos taurus (bovine))
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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3.00E+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))
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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3.50E+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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087412
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
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)
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4.20E+3n/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)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
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))
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))
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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>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))
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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>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))
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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>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))
BDBM50087415
PNG
(2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O
Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)
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>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087415
PNG
(2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O
Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)
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7.80E+3n/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)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
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)


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


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))
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)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087416
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC
Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)
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4.48E+4n/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)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
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))
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)


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


(Bos taurus (bovine))
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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1.20E+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
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
Adenosine deaminase


(Bos taurus (bovine))
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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2.50E+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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087412
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
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)
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2.80E+5n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087416
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC
Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)
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>5.00E+5n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
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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>1.00E+6n/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