BDBM152274 US8993556, 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethylisoxazole-3-carboxamide

SMILES: CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=DAESMMVDEWYEKZ-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 152274   

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))	BDBM152274 (US8993556, 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phen...) Show SMILES CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15N3O7/c1-2-19-18(24)13-9-16(28-20-13)17-14(23)7-11(22)8-15(17)27-12-5-3-10(4-6-12)21(25)26/h3-9,22-23H,2H2,1H3,(H,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	0.800	n/a	n/a	n/a	7.6	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ...				US Patent US8993556 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)