BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits of kd data for polymerid = 3040   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM26455
PNG
((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...)
Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r|
Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 9 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM26455
PNG
((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...)
Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r|
Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 5.50E+3n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 56 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM26455
PNG
((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...)
Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r|
Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 7.00E+3n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 13 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50021359
PNG
(CHEMBL3288597)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1
Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.90E+4n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 43 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50021359
PNG
(CHEMBL3288597)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1
Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.80E+4n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50021359
PNG
(CHEMBL3288597)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1
Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.06E+5n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 71 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50021359
PNG
(CHEMBL3288597)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1
Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.11E+5n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM26444
PNG
((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...)
Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/a 1.20E+5n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 123 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM26444
PNG
((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...)
Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/a 2.10E+5n/an/an/an/an/a



Slovenia National Institute of Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy


Eur J Med Chem 83: 92-101 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.021
BindingDB Entry DOI: 10.7270/Q25D8TDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)