Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50031272'   

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))	BDBM50031272 (CHEMBL128050 | [5-(5-Chloro-7-cyclooctylamino-imid...) Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C19H27ClN4O2/c20-16-10-15(22-13-6-4-2-1-3-5-7-13)18-19(23-16)24(12-21-18)17-9-8-14(11-25)26-17/h10,12-14,17,25H,1-9,11H2,(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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