Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50031285'   

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))	BDBM50031285 (5-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...) Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C18H25ClN4O3/c19-15-7-12(21-11-5-3-1-2-4-6-11)17-18(22-15)23(10-20-17)16-8-13(25)14(9-24)26-16/h7,10-11,13-14,16,24-25H,1-6,8-9H2,(H,21,22)	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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