BDBM20738 3-(5-chloro-2,4-dimethoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-benzoxazol-5-amine::Benzisoxazole, 12

SMILES: COc1cc(OC)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12

InChI Key: InChIKey=DWEOJWDYGBZNEF-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 = 20738   

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))	BDBM20738 (3-(5-chloro-2,4-dimethoxyphenyl)-N-[2-(morpholin-4...) Show SMILES COc1cc(OC)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12 Show InChI InChI=1S/C21H24ClN3O4/c1-26-19-13-20(27-2)17(22)12-16(19)21-15-11-14(3-4-18(15)29-24-21)23-5-6-25-7-9-28-10-8-25/h3-4,11-13,23H,5-10H2,1-2H3	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	>2.00E+4	n/a	n/a	n/a	n/a	7.3	22
Wyeth Research					Assay Description Compounds were assayed over a threefold dilution series in a 96-well plate format to determine IC50 values. The reaction was allowed to proceed with ...				J Med Chem 51: 373-5 (2008) Article DOI: 10.1021/jm701385c BindingDB Entry DOI: 10.7270/Q2G44NKB
					More data for this Ligand-Target Pair