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BDBM50116132 (3-Methoxy-4-oxazol-5-yl-phenyl)-(4-methoxy-6-phenyl-[1,3,5]triazin-2-yl)-amine::CHEMBL68221

SMILES: COc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1

InChI Key: InChIKey=ASMVNNCXXGYFBC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116132   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50116132
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(4-methoxy-6-phen...)
Show SMILES COc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c1-26-16-10-14(8-9-15(16)17-11-21-12-28-17)22-19-23-18(24-20(25-19)27-2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24,25)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

PubMed
n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II)


Bioorg Med Chem Lett 12: 3125-8 (2002)


BindingDB Entry DOI: 10.7270/Q2959GXF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50116132
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(4-methoxy-6-phen...)
Show SMILES COc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c1-26-16-10-14(8-9-15(16)17-11-21-12-28-17)22-19-23-18(24-20(25-19)27-2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair