Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM31998'   

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))	BDBM31998 (1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...) Show SMILES Cc1cccc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)n1 Show InChI InChI=1S/C19H17N3O3/c1-11-5-2-9-14(20-11)21-18(24)15-17(23)13-8-3-6-12-7-4-10-22(16(12)13)19(15)25/h2-3,5-6,8-9,25H,4,7,10H2,1H3,(H,20,21,24)	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	5.00E+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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