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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50046818   
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))
BDBM50046818
PNG
(CHEMBL3310464)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli MurD using D-Glu substrate by steady-state enzyme kinetics assay


Bioorg Med Chem 22: 4124-34 (2014)


Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50046818
PNG
(CHEMBL3310464)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial non-competitive inhibition of Escherichia coli MurD using UMA substrate by steady-state enzyme kinetics assay


Bioorg Med Chem 22: 4124-34 (2014)


Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50046818
PNG
(CHEMBL3310464)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.90E+4n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial un-competitive inhibition of Escherichia coli MurD using ATP substrate by steady-state enzyme kinetics assay


Bioorg Med Chem 22: 4124-34 (2014)


Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ
More data for this
Ligand-Target Pair