Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM313763'   

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 protein HSP 90-alpha (Homo sapiens (Human))	BDBM313763 (US10167285, Example 8) Show SMILES CC(C)NCCCN1C(Cc2c3Oc3ccc2I)Nc2cnc(F)nc12 Show InChI InChI=1S/C18H21FIN5O/c1-10(2)21-6-3-7-25-15(23-13-9-22-18(19)24-17(13)25)8-11-12(20)4-5-14-16(11)26-14/h4-5,9-10,15,21,23H,3,6-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50.4	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center US Patent					Assay Description The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...				US Patent US10167285 (2019) BindingDB Entry DOI: 10.7270/Q2BZ684R
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