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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Alanine racemase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Alanine racemase


(Escherichia coli (strain K12))
BDBM50022057
PNG
((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...)
Show SMILES NC(CCl)P(O)(O)=O
Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
8.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 148-51 (1986)

More data for this
Ligand-Target Pair
Alanine racemase


(Escherichia coli (strain K12))
BDBM50022058
PNG
((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...)
Show SMILES NC(C(Cl)Cl)P(O)(O)=O
Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 148-51 (1986)

More data for this
Ligand-Target Pair
Alanine racemase


(Escherichia coli (strain K12))
BDBM50022058
PNG
((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...)
Show SMILES NC(C(Cl)Cl)P(O)(O)=O
Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 148-51 (1986)

More data for this
Ligand-Target Pair
Alanine racemase


(Escherichia coli (strain K12))
BDBM50022057
PNG
((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...)
Show SMILES NC(CCl)P(O)(O)=O
Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 148-51 (1986)

More data for this
Ligand-Target Pair
Alanine racemase


(Escherichia coli (strain K12))
BDBM50019385
PNG
((1-Amino-allyl)-phosphonic acid | CHEMBL154711)
Show SMILES CCC(=N)P(O)(O)=O
Show InChI InChI=1S/C3H8NO3P/c1-2-3(4)8(5,6)7/h4H,2H2,1H3,(H2,5,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
8.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 579-81 (1986)

More data for this
Ligand-Target Pair
Alanine racemase


(Escherichia coli (strain K12))
BDBM50022058
PNG
((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...)
Show SMILES NC(C(Cl)Cl)P(O)(O)=O
Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa


J Med Chem 29: 148-51 (1986)

More data for this
Ligand-Target Pair