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2 similar compounds to monomer 50221000

Compile data set for download or QSAR
Wt: 252.7
BDBM50221018
Wt: 260.3
BDBM50221031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50221018,50221031   
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
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.74E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.95E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221031
PNG
(CHEMBL315456)
Show SMILES CC(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>9.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221031
PNG
(CHEMBL315456)
Show SMILES CC(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>9.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221031
PNG
(CHEMBL315456)
Show SMILES CC(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>9.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair