Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock 70 kDa protein 1A' and Ligand = 'BDBM50260460'   

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
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of HSPA1A (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition by malachite green dy...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
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