Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50462241'   

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))	BDBM50462241 (CHEMBL4245766) Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NCc4ccc(cc4)C(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C26H27N3O5/c1-15(2)20-12-21(24(31)13-23(20)30)26(33)29-10-9-18-11-19(7-8-22(18)29)27-14-16-3-5-17(6-4-16)25(32)28-34/h3-8,11-13,15,27,30-31,34H,9-10,14H2,1-2H3,(H,28,32)	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	86	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
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