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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50087331'   
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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