Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bis(5'-adenosyl)-triphosphatase' and Ligand = 'BDBM81579'   

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
Bis(5'-adenosyl)-triphosphatase (Homo sapiens (Human))	BDBM81579 (AppppA analog, 8 (X=S)) Show SMILES NC(COP([O-])(=S)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12)COP([S-])(=O)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C23H33N11O12P2S2/c24-9(1-41-47(39,49)43-3-10-14(35)16(37)22(45-10)33-7-31-12-18(25)27-5-29-20(12)33)2-42-48(40,50)44-4-11-15(36)17(38)23(46-11)34-8-32-13-19(26)28-6-30-21(13)34/h5-11,14-17,22-23,35-38H,1-4,24H2,(H,39,49)(H,40,50)(H2,25,27,29)(H2,26,28,30)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kimmel Cancer Center					Assay Description Inhibition assay using Fhit with ApppBODIPY.				BMC Chem Biol 1: 3 (2001) Article DOI: 10.1186/1472-6769-1-3 BindingDB Entry DOI: 10.7270/Q2445JZ9
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