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PubMed code 8289197

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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7n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011577
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(N)=O
Show InChI InChI=1S/C13H23N3O2/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)
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35n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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160n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043793
PNG
(3-Tetrazol-1-yl-nonan-2-ol | CHEMBL292750)
Show SMILES CCCCCCC(C(C)O)n1cnnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-8-11-12-13-14/h8-10,15H,3-7H2,1-2H3
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600n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043790
PNG
(3-[1,2,4]Triazol-1-yl-nonan-2-ol | CHEMBL65628)
Show SMILES CCCCCCC(C(C)O)n1cncn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043790
PNG
(3-[1,2,4]Triazol-1-yl-nonan-2-ol | CHEMBL65628)
Show SMILES CCCCCCC(C(C)O)n1cncn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043788
PNG
(3-Imidazol-1-yl-nonan-2-ol | CHEMBL64503)
Show SMILES CCCCCCC(C(C)O)n1ccnc1
Show InChI InChI=1S/C12H22N2O/c1-3-4-5-6-7-12(11(2)15)14-9-8-13-10-14/h8-12,15H,3-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043788
PNG
(3-Imidazol-1-yl-nonan-2-ol | CHEMBL64503)
Show SMILES CCCCCCC(C(C)O)n1ccnc1
Show InChI InChI=1S/C12H22N2O/c1-3-4-5-6-7-12(11(2)15)14-9-8-13-10-14/h8-12,15H,3-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043789
PNG
(3-Tetrazol-2-yl-nonan-2-ol | CHEMBL65627)
Show SMILES CCCCCCC(C(C)O)n1ncnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-12-8-11-13-14/h8-10,15H,3-7H2,1-2H3
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9.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043789
PNG
(3-Tetrazol-2-yl-nonan-2-ol | CHEMBL65627)
Show SMILES CCCCCCC(C(C)O)n1ncnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-12-8-11-13-14/h8-10,15H,3-7H2,1-2H3
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9.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043793
PNG
(3-Tetrazol-1-yl-nonan-2-ol | CHEMBL292750)
Show SMILES CCCCCCC(C(C)O)n1cnnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-8-11-12-13-14/h8-10,15H,3-7H2,1-2H3
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043794
PNG
(3-[1,2,4]Triazol-4-yl-nonan-2-ol | CHEMBL62360)
Show SMILES CCCCCCC(C(C)O)n1cnnc1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-8-12-13-9-14/h8-11,15H,3-7H2,1-2H3
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2.60E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011565
PNG
(3-(4-Amino-benzoimidazol-1-yl)-nonan-2-ol | CHEMBL...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)cccc12
Show InChI InChI=1S/C16H25N3O/c1-3-4-5-6-9-14(12(2)20)19-11-18-16-13(17)8-7-10-15(16)19/h7-8,10-12,14,20H,3-6,9,17H2,1-2H3
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7.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043791
PNG
(3-[1,2,3]Triazol-1-yl-nonan-2-ol | CHEMBL64502)
Show SMILES CCCCCCC(C(C)O)n1ccnn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-8-12-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043791
PNG
(3-[1,2,3]Triazol-1-yl-nonan-2-ol | CHEMBL64502)
Show SMILES CCCCCCC(C(C)O)n1ccnn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-8-12-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043792
PNG
(3-[1,2,3]Triazol-2-yl-nonan-2-ol | CHEMBL293222)
Show SMILES CCCCCCC(C(C)O)n1nccn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-12-8-9-13-14/h8-11,15H,3-7H2,1-2H3
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>4.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011566
PNG
(3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-nonan-2-o...)
Show SMILES CCCCCCC(C(C)O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-9-8-12-14(16)17-10-18-15(12)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17,18)
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4.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043795
PNG
(3-Pyrazol-1-yl-nonan-2-ol | CHEMBL62541)
Show SMILES CCCCCCC(C(C)O)n1cccn1
Show InChI InChI=1S/C12H22N2O/c1-3-4-5-6-8-12(11(2)15)14-10-7-9-13-14/h7,9-12,15H,3-6,8H2,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%