BDBM20737 4-bromo-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-benzoxazol-3-yl)benzene-1,3-diol::Benzisoxazole, 18

SMILES: Oc1cc(O)c(cc1Br)-c1noc2ccc(NCCN3CCOCC3)cc12

InChI Key: InChIKey=ZYDLLQQSZLGFKF-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 = 20737   

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))	BDBM20737 (4-bromo-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-...) Show SMILES Oc1cc(O)c(cc1Br)-c1noc2ccc(NCCN3CCOCC3)cc12 Show InChI InChI=1S/C19H20BrN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2	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	40	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