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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50495828'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Co-chaperonin GroES


(Escherichia coli)
BDBM50495828
PNG
(CHEMBL1376711)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)/b12-8+
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...


Bioorg Med Chem Lett 24: 786-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.100
BindingDB Entry DOI: 10.7270/Q27D2Z3M
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)
BDBM50495828
PNG
(CHEMBL1376711)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)/b12-8+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...


Bioorg Med Chem Lett 24: 786-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.100
BindingDB Entry DOI: 10.7270/Q27D2Z3M
More data for this
Ligand-Target Pair