Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AMP deaminase 3' and Ligand = 'BDBM50087402'   

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))	BDBM50087402 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(c1)C(F)(F)F)C(O)=O |c:14| Show InChI InChI=1S/C21H25F3N4O3/c1-20(19(30)31,10-14-5-4-6-15(9-14)21(22,23)24)7-2-3-8-28-13-27-17-16(29)11-25-12-26-18(17)28/h4-6,9,12-13,16,29H,2-3,7-8,10-11H2,1H3,(H,25,26)(H,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
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