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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Proline racemase'   
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
Proline racemase


(Clostridium sticklandii)
BDBM50444845
PNG
(CHEMBL1235532)
Show SMILES [O-]C(=O)c1ccc[nH]1
Show InChI InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
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MCE
KEGG
PC cid
PC sid
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UniChem

Similars

Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L...


Bioorg Med Chem Lett 24: 390-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.061
BindingDB Entry DOI: 10.7270/Q2PV6MVC
More data for this
Ligand-Target Pair
Proline racemase


(Clostridium sticklandii)
BDBM50444846
PNG
(CHEMBL3099361)
Show SMILES [O-]C(=O)C12CCC[NH+]1CCC2
Show InChI InChI=1S/C8H13NO2/c10-7(11)8-3-1-5-9(8)6-2-4-8/h1-6H2,(H,10,11)
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UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
1.11E+8n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) usin...


Bioorg Med Chem Lett 24: 390-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.061
BindingDB Entry DOI: 10.7270/Q2PV6MVC
More data for this
Ligand-Target Pair
Proline racemase


(Clostridium sticklandii)
BDBM50444846
PNG
(CHEMBL3099361)
Show SMILES [O-]C(=O)C12CCC[NH+]1CCC2
Show InChI InChI=1S/C8H13NO2/c10-7(11)8-3-1-5-9(8)6-2-4-8/h1-6H2,(H,10,11)
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+7n/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L/D-proline a...


Bioorg Med Chem Lett 24: 390-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.061
BindingDB Entry DOI: 10.7270/Q2PV6MVC
More data for this
Ligand-Target Pair
Proline racemase


(Clostridium sticklandii)
BDBM50444847
PNG
(CHEMBL3099360)
Show SMILES [O-]C(=O)C12CCC(CC1)[NH2+]2
Show InChI InChI=1S/C7H11NO2/c9-6(10)7-3-1-5(8-7)2-4-7/h5,8H,1-4H2,(H,9,10)
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.41E+8n/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L/D-proline a...


Bioorg Med Chem Lett 24: 390-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.061
BindingDB Entry DOI: 10.7270/Q2PV6MVC
More data for this
Ligand-Target Pair