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BDBM50166487 1,2-Bis-(4-chloro-phenyl)-4-(3-trifluoromethyl-benzyl)-pyrazolidine-3,5-dione::CHEMBL195808

SMILES: Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=QFMSHCXJJNMDOY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50166487   
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
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166487
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(3-trifluoromethyl-ben...)
Show SMILES Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2F3N2O2/c24-16-4-8-18(9-5-16)29-21(31)20(13-14-2-1-3-15(12-14)23(26,27)28)22(32)30(29)19-10-6-17(25)7-11-19/h1-12,31H,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Bioorg Med Chem Lett 15: 2527-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.058
BindingDB Entry DOI: 10.7270/Q2BG2NHW
More data for this
Ligand-Target Pair
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166487
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(3-trifluoromethyl-ben...)
Show SMILES Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2F3N2O2/c24-16-4-8-18(9-5-16)29-21(31)20(13-14-2-1-3-15(12-14)23(26,27)28)22(32)30(29)19-10-6-17(25)7-11-19/h1-12,31H,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurA enzyme in Escherichia coli


Bioorg Med Chem Lett 15: 2527-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.058
BindingDB Entry DOI: 10.7270/Q2BG2NHW
More data for this
Ligand-Target Pair