Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50096159'   

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))	BDBM50096159 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C26H28N4O3/c31-23-14-27-16-28-25-24(23)29-17-30(25)11-10-20-13-21(12-19-8-4-5-9-22(19)20)26(32)33-15-18-6-2-1-3-7-18/h1-3,6-7,12-13,16-17,23,31H,4-5,8-11,14-15H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Calf intestinal adenosine deaminase (ADA).				J Med Chem 44: 613-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ659R
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