BDBM20736 4-chloro-6-[5-(4-methylpiperazin-1-yl)-1,2-benzoxazol-3-yl]benzene-1,3-diol::Benzisoxazole, 17

SMILES: CN1CCN(CC1)c1ccc2onc(-c3cc(Cl)c(O)cc3O)c2c1

InChI Key: InChIKey=XSYKTRYXGUZLBT-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 = 20736   

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))	BDBM20736 (4-chloro-6-[5-(4-methylpiperazin-1-yl)-1,2-benzoxa...) Show SMILES CN1CCN(CC1)c1ccc2onc(-c3cc(Cl)c(O)cc3O)c2c1 Show InChI InChI=1S/C18H18ClN3O3/c1-21-4-6-22(7-5-21)11-2-3-17-13(8-11)18(20-25-17)12-9-14(19)16(24)10-15(12)23/h2-3,8-10,23-24H,4-7H2,1H3	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	800	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