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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50451174'   
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))		BDBM50451174
PNG
(CHEMBL4202457)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H18BrN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition

Bioorg Med Chem 25: 5799-5819 (2017)


Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X
More data for this
Ligand-Target Pair