Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AMP deaminase 3' and Ligand = 'BDBM50096168'   

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
AMP deaminase 3 (Homo sapiens (Human))	BDBM50096168 (1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OCc1ccccc1 |c:18| Show InChI InChI=1S/C28H32N4O4/c1-2-35-28(34)23-14-20(12-13-32-18-31-25-24(33)15-29-17-30-27(25)32)21-10-6-7-11-22(21)26(23)36-16-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,24,33H,2,6-7,10-13,15-16H2,1H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	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 recombinant human E-type adenylate deaminase				J Med Chem 44: 613-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ659R
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