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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 = 50119130   
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))
BDBM50119130
PNG
(CHEMBL60730 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2ccccc2)=NC#N)ccc1-c1cnco1
Show InChI InChI=1S/C18H15N5O2/c1-24-16-9-14(7-8-15(16)17-10-20-12-25-17)23-18(21-11-19)22-13-5-3-2-4-6-13/h2-10,12H,1H3,(H2,21,22,23)
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 13: 2059-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00258-0
BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50119130
PNG
(CHEMBL60730 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2ccccc2)=NC#N)ccc1-c1cnco1
Show InChI InChI=1S/C18H15N5O2/c1-24-16-9-14(7-8-15(16)17-10-20-12-25-17)23-18(21-11-19)22-13-5-3-2-4-6-13/h2-10,12H,1H3,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00600-5
BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair