BDBM50013708 CHEMBL3264540

SMILES: Oc1cc(O)c2C[C@@H](OC(=O)C3CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1

InChI Key: InChIKey=QWEKUNCFHMHMCR-QZTJIDSGSA-N

Data: 1 IC50

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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 = 50013708   

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-beta (Homo sapiens (Human))	BDBM50013708 (CHEMBL3264540) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)C3CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C19H18O7/c20-11-6-14(22)12-8-17(26-19(24)9-1-2-9)18(25-16(12)7-11)10-3-4-13(21)15(23)5-10/h3-7,9,17-18,20-23H,1-2,8H2/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay				Bioorg Med Chem Lett 24: 2263-6 (2014) Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6
					More data for this Ligand-Target Pair