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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 10355   
Target
(Institution)
LigandTarget
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
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50421214
PNG
(CHEMBL2087633)
Show SMILES Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O
Show InChI InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5,11H2,(H,13,14)/t8-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
5.10E+3n/an/an/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)

More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.79E+4n/an/an/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)

More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
8.50E+4n/an/an/an/an/an/an/an/a



Baylor University



Assay Description
Progress curves for slow-binding inhibition analysis were obtained by adding nitrocefin (final concentration 36 μM) to a solution containing enz...


J Enzyme Inhib Med Chem 28: 137-42 (2013)

More data for this
Ligand-Target Pair