Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AMP deaminase 3' and Ligand = 'BDBM50096166'   

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))	BDBM50096166 (1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12 |c:4| Show InChI InChI=1S/C26H28N4O4/c31-22-13-27-15-28-25-23(22)29-16-30(25)11-10-18-12-21(26(32)33)24(20-9-5-4-8-19(18)20)34-14-17-6-2-1-3-7-17/h1-3,6-7,12,15-16,22,31H,4-5,8-11,13-14H2,(H,27,28)(H,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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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