Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50031289'   

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))	BDBM50031289 (5-(5-Chloro-7-cyclooctylamino-imidazo[4,5-b]pyridi...) Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C19H27ClN4O3/c20-16-8-13(22-12-6-4-2-1-3-5-7-12)18-19(23-16)24(11-21-18)17-9-14(26)15(10-25)27-17/h8,11-12,14-15,17,25-26H,1-7,9-10H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition calf intestine adenosine deaminase				J Med Chem 38: 4019-25 (1995) BindingDB Entry DOI: 10.7270/Q2RB757R
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