Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50540246'   

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))	BDBM50540246 (CHEMBL4642050) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O Show InChI InChI=1S/C20H22N4O6S/c1-11(2)14-8-15(17(26)9-16(14)25)19-20(24(23-21-19)10-18(27)28)12-5-4-6-13(7-12)22-31(3,29)30/h4-9,11,22,25-26H,10H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
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