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3 similar compounds to monomer 50421214

Compile data set for download or QSAR
Wt: 264.3
BDBM50421215
Wt: 207.2
BDBM50421220
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Wt: 207.2
BDBM50421222
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50421215,50421220,50421222   
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
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50421220
PNG
(CHEMBL2087628)
Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50421220
PNG
(CHEMBL2087628)
Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50421222
PNG
(CHEMBL2087629)
Show SMILES OC(=O)[C@H]1CSC(=N1)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50421215
PNG
(CHEMBL2087634)
Show SMILES CC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7(15)13-9-4-2-3-8(5-9)11-14-10(6-18-11)12(16)17/h2-5,10H,6H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50421220
PNG
(CHEMBL2087628)
Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50421215
PNG
(CHEMBL2087634)
Show SMILES CC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7(15)13-9-4-2-3-8(5-9)11-14-10(6-18-11)12(16)17/h2-5,10H,6H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50421222
PNG
(CHEMBL2087629)
Show SMILES OC(=O)[C@H]1CSC(=N1)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.012
BindingDB Entry DOI: 10.7270/Q2CF9RCZ
More data for this
Ligand-Target Pair