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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'levy' and Initial = 'n'   
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
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512952
PNG
(CHEMBL4560540)
Show SMILES [H][C@]12CN([C@H](CN)C=C1c1cnco1)C(=O)N2OS(O)(=O)=O |r,c:7|
Show InChI InChI=1S/C10H12N4O6S/c11-2-6-1-7(9-3-12-5-19-9)8-4-13(6)10(15)14(8)20-21(16,17)18/h1,3,5-6,8H,2,4,11H2,(H,16,17,18)/t6-,8-/m0/s1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512949
PNG
(CHEMBL4470489)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2-c2cnoc2)-[#6]-1=O |c:10|
Show InChI InChI=1S/C9H9N3O6S.Na/c13-9-11-2-1-7(6-3-10-17-5-6)8(4-11)12(9)18-19(14,15)16;/h1,3,5,8H,2,4H2,(H,14,15,16);/q;+1/p-1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512948
PNG
(CHEMBL4476279)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2-c2cnco2)-[#6]-1=O |c:10|
Show InChI InChI=1S/C9H9N3O6S.Na/c13-9-11-2-1-6(8-3-10-5-17-8)7(4-11)12(9)18-19(14,15)16;/h1,3,5,7H,2,4H2,(H,14,15,16);/q;+1/p-1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512953
PNG
(CHEMBL4515223)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2)-[#6]-1=O |c:10|
Show InChI InChI=1S/C6H8N2O5S.Na/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;/h1-2,5H,3-4H2,(H,10,11,12);/q;+1/p-1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512951
PNG
(Avibactam sodium | CHEBI:85982 | Nxl-104)
Show SMILES [Na;v0+].[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@@H]-2-[#6]-[#7]-1-[#6](=O)-[#7]-2-[#8]S([#8-])(=O)=O |r,TLB:2:4:8:10.12,13:12:4.5.6:8,THB:11:10:4.5.6:8|
Show InChI InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50512950
PNG
(CHEMBL4545278)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]-[#6]-2)-[#6]-1=O
Show InChI InChI=1S/C6H10N2O5S.Na/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;/h5H,1-4H2,(H,10,11,12);/q;+1/p-1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 62: 4742-4754 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00338
BindingDB Entry DOI: 10.7270/Q2CZ3BG7
More data for this
Ligand-Target Pair