BDBM50206881 CHEMBL3959191

SMILES: CCCc1cc(C(=O)Cc2ccc3OCOc3c2)c(O)cc1O

InChI Key: InChIKey=SOIFXIDUZIIFTO-UHFFFAOYSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206881   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50206881 (CHEMBL3959191) Show SMILES CCCc1cc(C(=O)Cc2ccc3OCOc3c2)c(O)cc1O Show InChI InChI=1S/C18H18O5/c1-2-3-12-8-13(16(21)9-14(12)19)15(20)6-11-4-5-17-18(7-11)23-10-22-17/h4-5,7-9,19,21H,2-3,6,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...				Bioorg Med Chem Lett 27: 277-281 (2017) Article DOI: 10.1016/j.bmcl.2016.11.059 BindingDB Entry DOI: 10.7270/Q2CR5WBR
					More data for this Ligand-Target Pair