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3 similar compounds to monomer 50075378

Compile data set for download or QSAR
Wt: 390.4
BDBM50365062
Wt: 404.4
BDBM50365063
Wt: 404.4
BDBM50075377

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50365062,50365063,50075377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.10E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 7.80E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein GlmU


(Streptococcus pneumoniae)
BDBM50365063
PNG
(CHEMBL1951073)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)CCc2ccccc12
Show InChI InChI=1S/C20H24N2O5S/c1-13-9-10-15-7-5-6-8-17(15)22(13)28(24,25)20-11-16(21-14(2)23)18(26-3)12-19(20)27-4/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's meth...


Bioorg Med Chem Lett 22: 1510-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.016
BindingDB Entry DOI: 10.7270/Q23J3DF0
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075377
PNG
(CHEMBL3414897)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12
Show InChI InChI=1S/C20H24N2O5S/c1-13-9-10-15-7-5-6-8-17(15)22(13)28(24,25)20-11-16(21-14(2)23)18(26-3)12-19(20)27-4/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075377
PNG
(CHEMBL3414897)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12
Show InChI InChI=1S/C20H24N2O5S/c1-13-9-10-15-7-5-6-8-17(15)22(13)28(24,25)20-11-16(21-14(2)23)18(26-3)12-19(20)27-4/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein GlmU


(Streptococcus pneumoniae)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's meth...


Bioorg Med Chem Lett 22: 1510-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.016
BindingDB Entry DOI: 10.7270/Q23J3DF0
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair