BindingDB logo
myBDB logout

BDBM50333987 4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-ylamino)pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-one::CHEMBL1644619

SMILES: O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1

InChI Key: InChIKey=WTYOGZPSBLDMQY-UHFFFAOYSA-N

Data: 5 IC50

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 = 50333987   
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 9


(Homo sapiens (Human))
BDBM50333987
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50333987
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50333987
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50333987
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50333987
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair