Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM265122'   

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))	BDBM265122 (US10413550, Example 44 | US11234987, Example 44 | ...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(c1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-5-15(11-16)14(2)28-7-9-32-10-8-28/h4-6,11-14,29-30H,3,7-10H2,1-2H3,(H,26,31)	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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
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