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PubMed code 19731939

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300661
PNG
(3-borono-5-(2-methoxybenzamido)benzoic acid | CHEM...)
Show SMILES COc1ccccc1C(=O)Nc1cc(cc(c1)C(O)=O)B(O)O
Show InChI InChI=1S/C15H14BNO6/c1-23-13-5-3-2-4-12(13)14(18)17-11-7-9(15(19)20)6-10(8-11)16(21)22/h2-8,21-22H,1H3,(H,17,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300664
PNG
(3-borono-5-(2-phenoxyacetamido)benzoic acid | CHEM...)
Show SMILES OB(O)c1cc(NC(=O)COc2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C15H14BNO6/c18-14(9-23-13-4-2-1-3-5-13)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h1-8,21-22H,9H2,(H,17,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300662
PNG
(3-borono-5-(thiophene-2-carboxamido)benzoic acid |...)
Show SMILES OB(O)c1cc(NC(=O)c2cccs2)cc(c1)C(O)=O
Show InChI InChI=1S/C12H10BNO5S/c15-11(10-2-1-3-20-10)14-9-5-7(12(16)17)4-8(6-9)13(18)19/h1-6,18-19H,(H,14,15)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300660
PNG
(3-benzamido-5-boronobenzoic acid | CHEMBL575719)
Show SMILES OB(O)c1cc(NC(=O)c2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C14H12BNO5/c17-13(9-4-2-1-3-5-9)16-12-7-10(14(18)19)6-11(8-12)15(20)21/h1-8,20-21H,(H,16,17)(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300663
PNG
(3-borono-5-(2-(thiophen-2-yl)acetamido)benzoic aci...)
Show SMILES OB(O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(O)=O
Show InChI InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300659
PNG
(3-borono-5-(2-phenylacetamido)benzoic acid | CHEMB...)
Show SMILES OB(O)c1cc(NC(=O)Cc2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C15H14BNO5/c18-14(6-10-4-2-1-3-5-10)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h1-5,7-9,21-22H,6H2,(H,17,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50067893
PNG
(3-Carboxyphenylboronicacid | 3-boronobenzoic acid ...)
Show SMILES OB(O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50300665
PNG
(5-boronothiophene-2-carboxylic acid | CHEMBL573906)
Show SMILES OB(O)c1ccc(s1)C(O)=O
Show InChI InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate mixture of (R)-[2-(benzoyl...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%