Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50060166'   

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))	BDBM50060166 (CHEMBL112683 | N-[1-((2R,3R,4S,5R)-3,4-Dihydroxy-5...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc(NC=O)c1 Show InChI InChI=1S/C9H13N3O5/c13-2-5-7(15)8(16)9(17-5)12-1-6(10-3-12)11-4-14/h1,3-5,7-9,13,15-16H,2H2,(H,11,14)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Illinois University Curated by ChEMBL					Assay Description Apparent binding constant against adenosine deaminase				J Med Chem 40: 3336-45 (1997) Article DOI: 10.1021/jm970301s BindingDB Entry DOI: 10.7270/Q2QF8S05
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