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BDBM50475587 CHEMBL426651

SMILES: OC1=C(C(=O)O\C1=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ALUZDKHJNXMHQW-JAIQZWGSSA-N

Data: 4 IC50

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 4 hits for monomerid = 50475587   
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
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50475587
PNG
(CHEMBL426651)
Show SMILES OC1=C(C(=O)O\C1=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.27E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurA in Escherichia coli


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50475587
PNG
(CHEMBL426651)
Show SMILES OC1=C(C(=O)O\C1=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurD in Staphylococcus aureus


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50475587
PNG
(CHEMBL426651)
Show SMILES OC1=C(C(=O)O\C1=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.76E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurC in Staphylococcus aureus


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50475587
PNG
(CHEMBL426651)
Show SMILES OC1=C(C(=O)O\C1=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.18E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurB in Escherichia coli


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair