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BDBM152275 US8993556, 5-[2-(4-Chlorophenoxy)-4,6-dihydroxyphenyl]-N-ethylisoxazole-3-carboxamide

SMILES: CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=ULRYEIXYTPOIKV-UHFFFAOYSA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 152275   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM152275
PNG
(US8993556, 5-[2-(4-Chlorophenoxy)-4,6-dihydroxyphe...)
Show SMILES CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O5/c1-2-20-18(24)13-9-16(26-21-13)17-14(23)7-11(22)8-15(17)25-12-5-3-10(19)4-6-12/h3-9,22-23H,2H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/a 9.20n/an/an/an/an/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