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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)' and Monomerid = 50294184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50294184
PNG
(CHEMBL561640 | N-(4-chlorophenyl)-2-phenoxypropana...)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)
PDB
MMDB

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a8.025



Brandeis University



Assay Description
Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.


Chem Biol 15: 70-7 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.010
BindingDB Entry DOI: 10.7270/Q2T1524X
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50294184
PNG
(CHEMBL561640 | N-(4-chlorophenyl)-2-phenoxypropana...)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 expressed in Escherichia coli guaB assessed as NADH production by fluorescence assay


J Med Chem 52: 4623-30 (2009)


Article DOI: 10.1021/jm900410u
BindingDB Entry DOI: 10.7270/Q2HM59C1
More data for this
Ligand-Target Pair