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Articleid 50029801

Compile data set for download or QSAR
Found 4 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))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
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+/m0/s1
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Article
1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase in calf intestinal mucosa.


Bioorg Med Chem Lett 6: 2417-2420 (1996)


Article DOI: 10.1016/0960-894X(96)00439-8
BindingDB Entry DOI: 10.7270/Q2PK0G3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288072
PNG
((Z)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...)
Show SMILES CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5-/t10-,11+/m0/s1
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Article
3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase in calf intestinal mucosa.


Bioorg Med Chem Lett 6: 2417-2420 (1996)


Article DOI: 10.1016/0960-894X(96)00439-8
BindingDB Entry DOI: 10.7270/Q2PK0G3T
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288073
PNG
((E)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...)
Show SMILES CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1
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Article
51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase in calf intestinal mucosa.


Bioorg Med Chem Lett 6: 2417-2420 (1996)


Article DOI: 10.1016/0960-894X(96)00439-8
BindingDB Entry DOI: 10.7270/Q2PK0G3T
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288071
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-non-5-yn-2-ol | 3-(...)
Show SMILES CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H19N5O/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,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Article
188n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase in calf intestinal mucosa.


Bioorg Med Chem Lett 6: 2417-2420 (1996)


Article DOI: 10.1016/0960-894X(96)00439-8
BindingDB Entry DOI: 10.7270/Q2PK0G3T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%