BDBM50008248 CHEMBL3234759

SMILES: CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=UFBKEMCQIALJHL-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 = 50008248   

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))	BDBM50008248 (CHEMBL3234759) Show SMILES CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H33N5O2/c1-21(2)25-16-27(29(36)17-28(25)35)34-20-26(30-31-34)24-10-8-23(9-11-24)19-33-14-12-32(13-15-33)18-22-6-4-3-5-7-22/h3-11,16-17,20-21,35-36H,12-15,18-19H2,1-2H3	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	295	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