Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM32041'   

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))	BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15| Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6
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