Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM110221'   

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))	BDBM110221 (US8618290, 58) Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC2C[C@H](O)[C@H](O)C2)=N1 |r,c:38| Show InChI InChI=1S/C25H27FN6O4/c1-12-23-19(31-25(27)28-12)11-18(30-24(23)32-36-14-9-20(33)21(34)10-14)15-7-6-13(26)8-16(15)17-4-3-5-22(29-17)35-2/h3-8,14,18,20-21,33-34H,9-11H2,1-2H3,(H,30,32)(H2,27,28,31)/t14?,18-,20-,21+/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	5	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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