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BDBM50087365 3-[3-(2-methyl-5-{[(methylamino)oxy]carbonyl}phenyl)propyl]-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (1.05H2O)::CHEMBL36986

SMILES: CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1

InChI Key: InChIKey=VLOVJJNVLZDKLQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087365   
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))		BDBM50087365
PNG
(3-[3-(2-methyl-5-{[(methylamino)oxy]carbonyl}pheny...)
Show SMILES CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
Show InChI InChI=1S/C18H23N5O3/c1-12-5-6-14(18(25)26-19-2)8-13(12)4-3-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h5-6,8,10-11,15,19,24H,3-4,7,9H2,1-2H3,(H,20,21)
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
 50n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its 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