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SMILES: CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1

InChI Key: InChIKey=CZAJKNGMKBXAJT-GXFFZTMASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451168   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine deaminase


(Bos taurus (bovine))		BDBM50451168
PNG
(CHEMBL4211702)
Show SMILES CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1 |r|
Show InChI InChI=1S/C16H21N5OS/c1-3-11-4-5-12(23-11)6-7-13(10(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h4-5,8-10,13,22H,3,6-7H2,1-2H3,(H2,17,18,19)/t10-,13+/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
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Article
PubMed
 2.10n/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