BDBM50013695 CHEMBL3264531

SMILES: Oc1cc(O)c2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=XGYARYRGOAOLBE-QVKFZJNVSA-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 = 50013695   

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))	BDBM50013695 (CHEMBL3264531) Show SMILES Oc1cc(O)c2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C21H19NO8S/c23-12-8-16(24)14-10-15(22-31(28,29)13-4-2-1-3-5-13)21(30-19(14)9-12)11-6-17(25)20(27)18(26)7-11/h1-9,15,21-27H,10H2/t15-,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	4.40E+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