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BDBM50087346 3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-propyl]-4-methoxy-benzoic acid methyl ester::CHEMBL290770

SMILES: COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1

InChI Key: InChIKey=DLOYHBZGFPGQQC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087346   
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))		BDBM50087346
PNG
(3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
Show InChI InChI=1S/C18H22N4O4/c1-25-15-6-5-13(18(24)26-2)8-12(15)4-3-7-22-11-21-16-14(23)9-19-10-20-17(16)22/h5-6,8,10-11,14,23H,3-4,7,9H2,1-2H3,(H,19,20)
PDB
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 130n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)

J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair