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BDBM50123335 2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H-quinolin-4-one::CHEMBL358876

SMILES: COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1

InChI Key: InChIKey=NHCZTUMGCZNJIL-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123335   
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 (IMPDH)


(Homo sapiens (Human))
BDBM50123335
PNG
(2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-14(6-13(12)2)17-8-19(24)15-7-16(21-10-22-11-26-21)20(25-3)9-18(15)23-17/h4-11H,1-3H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50123335
PNG
(2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-14(6-13(12)2)17-8-19(24)15-7-16(21-10-22-11-26-21)20(25-3)9-18(15)23-17/h4-11H,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair