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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' AND taxid = 10090   
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
Adenosine deaminase


(Mus musculus)
BDBM50367350
PNG
(CHEMBL603590)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cccnc1=O
Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8?/m1/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory constant for adenosine deaminase (ADA)


J Med Chem 29: 1374-80 (1986)

More data for this
Ligand-Target Pair
Adenosine deaminase


(Mus musculus)
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
9.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition of adenosine deaminase and expressed as Ki


J Med Chem 27: 1358-60 (1984)

More data for this
Ligand-Target Pair