Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50044020'   

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))	BDBM50044020 ((2R,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-1-f...) Show SMILES CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12 Show InChI InChI=1S/C15H23FN4O/c1-2-3-4-5-6-11(13(21)9-16)20-10-19-14-12(20)7-8-18-15(14)17/h7-8,10-11,13,21H,2-6,9H2,1H3,(H2,17,18)/t11-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa				J Med Chem 37: 305-8 (1994) BindingDB Entry DOI: 10.7270/Q2D50M1Z
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