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 = 'BDBM50455714'   

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))	BDBM50455714 (CHEMBL4202771) Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C25H23N3O3/c1-15-5-4-6-17(11-15)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)28(3)19-9-7-18(8-10-19)16(2)29/h4-11,13-14,30H,12H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	25	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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