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BDBM50276627 4-(5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl)-6-ethylbenzene-1,3-diol::CHEMBL514748

SMILES: CCOc1ccc(cc1)-c1snnc1-c1cc(CC)c(O)cc1O

InChI Key: InChIKey=DUXCVYIPXRRATG-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 = 50276627   
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))
BDBM50276627
PNG
(4-(5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl)-6-eth...)
Show SMILES CCOc1ccc(cc1)-c1snnc1-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 42n/an/an/an/an/a



Fermentas UAB

Curated by ChEMBL


Assay Description
Binding affinity to human full length Histidine6-tagged Hsp90alpha expressed in Escherichia coli BL21 DE3 by ITC


Bioorg Med Chem Lett 19: 1089-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.003
BindingDB Entry DOI: 10.7270/Q27944KP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)