Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50048369'   

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-beta (Homo sapiens (Human))	BDBM50048369 (CHEMBL3310002) Show SMILES CN1CCN(CC1)c1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1 Show InChI InChI=1S/C22H23N7O2/c1-27-6-8-28(9-7-27)15-3-4-16-17(12-15)24-20(29-21(16)25-22(23)26-29)11-14-2-5-18-19(10-14)31-13-30-18/h2-5,10,12H,6-9,11,13H2,1H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay				Bioorg Med Chem 22: 4135-50 (2014) Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD
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