BDBM50429452 CHEMBL2332361

SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)\C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=LFCXXHMQZUKIEF-OKBIWPNBSA-N

Data: 1 Kd

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 = 50429452   

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))	BDBM50429452 (CHEMBL2332361) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)\C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C24H30O12/c25-10-16-19(29)20(30)21(31)23(35-16)36-22-18-14(7-8-33-22)15(9-24(18,32)11-26)34-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,14-16,18-23,25-27,29-32H,9-11H2/b6-3-/t14-,15+,16+,18+,19+,20-,21+,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance				J Med Chem 56: 1583-95 (2013) Article DOI: 10.1021/jm301398y BindingDB Entry DOI: 10.7270/Q2K938W3
					More data for this Ligand-Target Pair