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SMILES: O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1

InChI Key: InChIKey=PNXHUKPFSGHNBN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50059173   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a 450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair