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BDBM50218765 CHEMBL66962

SMILES: CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=VOPPAIAGDKQRIQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50218765   
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
Cell division protein FtsI (Peptidoglycan synthetase)


(Staphylococcus aureus)
BDBM50218765
PNG
(CHEMBL66962)
Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C13H13ClN2O7S/c1-7(12(18)19)16-11(17)10(6-24(16,21)22)15-13(20)23-9-4-2-8(14)3-5-9/h2-5,7,10H,6H2,1H3,(H,15,20)(H,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>6.63E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein 3


(Staphylococcus aureus)
BDBM50218765
PNG
(CHEMBL66962)
Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C13H13ClN2O7S/c1-7(12(18)19)16-11(17)10(6-24(16,21)22)15-13(20)23-9-4-2-8(14)3-5-9/h2-5,7,10H,6H2,1H3,(H,15,20)(H,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>6.63E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218765
PNG
(CHEMBL66962)
Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C13H13ClN2O7S/c1-7(12(18)19)16-11(17)10(6-24(16,21)22)15-13(20)23-9-4-2-8(14)3-5-9/h2-5,7,10H,6H2,1H3,(H,15,20)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>6.63E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair