Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50096174'   

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))	BDBM50096174 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18| Show InChI InChI=1S/C21H25BrN4O3/c1-2-29-21(28)16-9-13(14-5-3-4-6-15(14)18(16)22)7-8-26-12-25-19-17(27)10-23-11-24-20(19)26/h9,11-12,17,27H,2-8,10H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	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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