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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50288072'   
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.74n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair