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SMILES: COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12

InChI Key: InChIKey=ANFMZVNWHAVWQN-CLTKARDFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099681   
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))		BDBM50099681
PNG
(5-[2-(6-Amino-purin-9-yl)-ethylidene]-3,4-dimethox...)
Show SMILES COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12 |c:2|
Show InChI InChI=1S/C13H13N5O4/c1-20-9-7(22-13(19)10(9)21-2)3-4-18-6-17-8-11(14)15-5-16-12(8)18/h3,5-6H,4H2,1-2H3,(H2,14,15,16)/b7-3-
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KEGG

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PC cid
PC sid
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Similars
PubMed
 3.16E+5n/an/an/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Rate of deamination in the presence of calf mucosal adenosine deaminase (ADA)

J Med Chem 44: 1749-57 (2001)


BindingDB Entry DOI: 10.7270/Q21V5D7J
More data for this
Ligand-Target Pair