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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50006080   
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
Membrane-bound lytic murein transglycosylase B


(Escherichia coli (strain K12))
BDBM50386412
PNG
(CHEMBL2047302)
Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 1.74E+5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B


(Escherichia coli (strain K12))
BDBM50386414
PNG
(CHEMBL2047304)
Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C14H25N3O7/c1-6(14(22)23)16-13(21)7(2)24-12-9(17-8(3)19)4-15-10(5-18)11(12)20/h6-7,9-12,15,18,20H,4-5H2,1-3H3,(H,16,21)(H,17,19)(H,22,23)/t6-,7+,9-,10+,11+,12+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 1.89E+5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B


(Escherichia coli (strain K12))
BDBM50386413
PNG
(CHEMBL2047303)
Show SMILES C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C11H20N2O6/c1-5(11(17)18)19-10-7(13-6(2)15)3-12-8(4-14)9(10)16/h5,7-10,12,14,16H,3-4H2,1-2H3,(H,13,15)(H,17,18)/t5-,7+,8-,9-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B


(Escherichia coli (strain K12))
BDBM50386415
PNG
(CHEMBL2047305)
Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H32N4O10/c1-8(17(29)23-11(19(31)32)4-5-14(26)27)21-18(30)9(2)33-16-12(22-10(3)25)6-20-13(7-24)15(16)28/h8-9,11-13,15-16,20,24,28H,4-7H2,1-3H3,(H,21,30)(H,22,25)(H,23,29)(H,26,27)(H,31,32)/t8-,9+,11+,12-,13+,15+,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 1.01E+6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair