Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50087358'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine deaminase (Bos taurus (bovine))	BDBM50087358 (1-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc2ccccc2c1CCCn1cnc2C(O)CNC=Nc12 |c:27| Show InChI InChI=1S/C21H22N4O3/c1-28-21(27)17-9-8-14-5-2-3-6-15(14)16(17)7-4-10-25-13-24-19-18(26)11-22-12-23-20(19)25/h2-3,5-6,8-9,12-13,18,26H,4,7,10-11H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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