Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50468091'
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468091(CHEMBL4277733)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H12Br2N2O2S2/c21-11-9-14(18(25)15(22)10-11)19(26)23-12-5-7-13(8-6-12)27-20-24-16-3-1-2-4-17(16)28-20/h1-10,25H,(H,23,26)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468091(CHEMBL4277733)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H12Br2N2O2S2/c21-11-9-14(18(25)15(22)10-11)19(26)23-12-5-7-13(8-6-12)27-20-24-16-3-1-2-4-17(16)28-20/h1-10,25H,(H,23,26)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured rhodaneseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468091(CHEMBL4277733)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H12Br2N2O2S2/c21-11-9-14(18(25)15(22)10-11)19(26)23-12-5-7-13(8-6-12)27-20-24-16-3-1-2-4-17(16)28-20/h1-10,25H,(H,23,26)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468091(CHEMBL4277733)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H12Br2N2O2S2/c21-11-9-14(18(25)15(22)10-11)19(26)23-12-5-7-13(8-6-12)27-20-24-16-3-1-2-4-17(16)28-20/h1-10,25H,(H,23,26)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed