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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mandelate racemase (MR)' and Ligand = 'BDBM81768'   
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
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
7.00E+5n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas putida mandelate racemase


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
3D
3D Structure (crystal)