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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 = 'BDBM50467860'   
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


(Cryptococcus neoformans var. neoformans serotype D...)
BDBM50467860
PNG
(CHEMBL4277486)
Show SMILES COc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14|
Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-6-4-5-11(9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-8-3-2-7-13(14)15/h2-10H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD


Bioorg Med Chem 26: 5408-5419 (2018)


Article DOI: 10.1016/j.bmc.2018.09.004
BindingDB Entry DOI: 10.7270/Q2KK9FGT
More data for this
Ligand-Target Pair