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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alanine racemase' and Ligand = 'BDBM50022057'   
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
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
PubMed
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 148-51 (1986)


BindingDB Entry DOI: 10.7270/Q20Z729S
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
PubMed
3.80E+5n/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)


BindingDB Entry DOI: 10.7270/Q20Z729S
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
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)


BindingDB Entry DOI: 10.7270/Q20Z729S
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
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)


BindingDB Entry DOI: 10.7270/Q20Z729S
More data for this
Ligand-Target Pair