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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase 2' and Ligand = 'BDBM50160367'   
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 2


(Homo sapiens (Human))
BDBM50160367
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-1H-quinazoline-2,...)
Show SMILES COc1cc2[nH]c(=O)n(C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H11N3O4/c1-16-12(17)7-3-8(11-5-14-6-20-11)10(19-2)4-9(7)15-13(16)18/h3-6H,1-2H3,(H,15,18)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160367
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-1H-quinazoline-2,...)
Show SMILES COc1cc2[nH]c(=O)n(C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H11N3O4/c1-16-12(17)7-3-8(11-5-14-6-20-11)10(19-2)4-9(7)15-13(16)18/h3-6H,1-2H3,(H,15,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair