Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50031271'   

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))	BDBM50031271 (CHEMBL338919 | [5-(7-Cycloheptylamino-imidazo[4,5-...) Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)ccnc12 Show InChI InChI=1S/C18H26N4O2/c23-11-14-7-8-16(24-14)22-12-20-17-15(9-10-19-18(17)22)21-13-5-3-1-2-4-6-13/h9-10,12-14,16,23H,1-8,11H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+4	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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