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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' and Ligand = 'BDBM50100894'   
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
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100894
PNG
(CHEMBL3329561)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2/c1-11(23-25)12-5-4-6-13(9-12)18(2,3)22-17(24)21-14-7-8-15(19)16(20)10-14/h4-10,25H,1-3H3,(H2,21,22,24)/b23-11+
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair