Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50345155'   

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))	BDBM50345155 (CHEMBL1779535) Show SMILES CC(=O)N1CCN2CCCc3c(C)c4c(CC(C)(C)CC4=O)n3-c3ccc(C(N)=O)c(NC[C@H]2C1)c3 |r| Show InChI InChI=1S/C28H37N5O3/c1-17-23-6-5-9-31-10-11-32(18(2)34)16-20(31)15-30-22-12-19(7-8-21(22)27(29)36)33(23)24-13-28(3,4)14-25(35)26(17)24/h7-8,12,20,30H,5-6,9-11,13-16H2,1-4H3,(H2,29,36)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay				Bioorg Med Chem Lett 21: 3627-31 (2011) Article DOI: 10.1016/j.bmcl.2011.04.102 BindingDB Entry DOI: 10.7270/Q2VX0GVP
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