Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50349052'   

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))	BDBM50349052 (CHEMBL1806511) Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1C[C@H](F)CN1 |r| Show InChI InChI=1S/C30H40FN5O3/c1-16-15-35(29(39)23-10-19(31)14-33-23)9-8-24-17(2)27-25(12-30(4,5)13-26(27)37)36(24)20-6-7-21(28(32)38)22(11-20)34-18(16)3/h6-7,11,16,18-19,23,33-34H,8-10,12-15H2,1-5H3,(H2,32,38)/t16-,18+,19+,23+/m1/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4602-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.102 BindingDB Entry DOI: 10.7270/Q2833SD5
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