BDBM50013690 CHEMBL3264526

SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)cc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=QZMSQPPAFZMQIA-TZIWHRDSSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013690   

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))	BDBM50013690 (CHEMBL3264526) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)cc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H17FO8/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,24-28H,9H2/t19-,21-/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+4	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