BDBM50008251 CHEMBL3234762

SMILES: CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=QETISTDEYMGRCN-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 = 50008251   

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))	BDBM50008251 (CHEMBL3234762) Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C22H26N4O3/c1-15(2)18-11-19(22(28)12-21(18)27)26-20(13-23-24-26)17-5-3-16(4-6-17)14-25-7-9-29-10-8-25/h3-6,11-13,15,27-28H,7-10,14H2,1-2H3	PDB MMDB NCI pathway 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay				J Med Chem 57: 2258-74 (2014) Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR
					More data for this Ligand-Target Pair