Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM110224'   

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))	BDBM110224 (US8618290, 65) Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2CC[C@H](O)CC2)=N1 |r,wU:15.16,wD:32.35,c:39,(-4.67,-5.52,;-3.33,-4.75,;-2,-5.52,;-2,-7.06,;-.67,-7.83,;.67,-7.06,;.67,-5.52,;-.67,-4.75,;2,-4.75,;3.33,-5.52,;4.67,-4.75,;6,-5.52,;4.67,-3.21,;3.33,-2.44,;2,-3.21,;.67,-2.44,;-.67,-3.21,;-2,-2.44,;-3.33,-3.21,;-4.67,-2.44,;-6,-3.21,;-4.67,-.9,;-3.33,-.13,;-3.33,1.41,;-2,-.9,;-.67,-.13,;-.67,1.41,;.67,2.18,;.67,3.72,;2,4.49,;2,6.03,;3.33,6.8,;4.67,6.03,;6,6.8,;4.67,4.49,;3.33,3.72,;.67,-.9,)| Show InChI InChI=1S/C27H31FN6O3/c1-15-25-23(33-27(29)30-15)13-22(32-26(25)34-37-14-16-6-9-18(35)10-7-16)19-11-8-17(28)12-20(19)21-4-3-5-24(31-21)36-2/h3-5,8,11-12,16,18,22,35H,6-7,9-10,13-14H2,1-2H3,(H,32,34)(H2,29,30,33)/t16?,18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.3	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...				US Patent US8618290 (2013) BindingDB Entry DOI: 10.7270/Q2D50KM5
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