Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50495242'   

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))	BDBM50495242 (CHEMBL3104287) Show SMILES Nc1nc(SCCC(=O)NCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C20H20ClN5O3S/c21-14-8-12-10-29-9-11-2-1-3-13(16(11)12)17(14)18-24-19(22)26-20(25-18)30-7-4-15(28)23-5-6-27/h1-3,8,27H,4-7,9-10H2,(H,23,28)(H2,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
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