BDBM20932 Isoxazole, 72::N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

SMILES: CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1OC

InChI Key: InChIKey=QYUJMZDXFKTDAQ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 20932   

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))	BDBM20932 (Isoxazole, 72 | N-ethyl-5-(5-ethyl-2,4-dimethoxyph...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1OC Show InChI InChI=1S/C27H33N3O5/c1-5-19-15-21(23(33-4)16-22(19)32-3)26-24(25(29-35-26)27(31)28-6-2)20-9-7-18(8-10-20)17-30-11-13-34-14-12-30/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	3.20E+4	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C
					More data for this Ligand-Target Pair