Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50455717'   

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/90-beta (Homo sapiens (Human))	BDBM50455717 (CHEMBL4206471) Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2CCN(C(C)=O)c2c1 Show InChI InChI=1S/C27H26N4O3/c1-16-5-4-6-18(11-16)12-23-21-14-22(26(33)15-24(21)29-28-23)27(34)30(3)20-8-7-19-9-10-31(17(2)32)25(19)13-20/h4-8,11,13-15,33H,9-10,12H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method				J Med Chem 61: 4397-4411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00080 BindingDB Entry DOI: 10.7270/Q2G163FN
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