Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50098121'   

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))	BDBM50098121 (6-Methoxymethyl-3a,5b-dimethyl-3,8,11-trioxo-2,3,3...) Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CCC(=O)[C@@]2(C)C[C@H]1C(=O)OC)C3=O |t:16| Show InChI InChI=1S/C23H24O8/c1-22-7-10(20(26)29-4)16-15(12(22)5-6-13(22)24)18(25)19-17-11(8-30-19)21(27)31-14(9-28-3)23(16,17)2/h8,10,12,14H,5-7,9H2,1-4H3/t10-,12?,14-,22+,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Department of Molecular Oncogenesis Curated by ChEMBL					Assay Description Competitive binding towards Heat shock protein HSP 90-alpha				Bioorg Med Chem Lett 11: 909-13 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HJX
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