BDBM81917 BX-2819

SMILES: CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=VVLULBZUIUWMQM-UHFFFAOYSA-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 = 81917   

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))	BDBM81917 (BX-2819) Show SMILES CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O4S/c1-4-29-21(28)22-11-13-5-7-14(8-6-13)25-19(23-24-20(25)30)16-9-15(12(2)3)17(26)10-18(16)27/h5-10,12,26-27H,4,11H2,1-3H3,(H,22,28)(H,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Healthcare,					Assay Description To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...				Chem Biol Drug Des 74: 43-50 (2009) Article DOI: 10.1111/j.1747-0285.2009.00833.x BindingDB Entry DOI: 10.7270/Q2KW5DJW
					More data for this Ligand-Target Pair