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BDBM50411418 CHEMBL234687

SMILES: O=C(Nc1sc2CCCCc2c1C#N)Nc1cccc2ccccc12

InChI Key: InChIKey=PICUWCVSFHKLSC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50411418   
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))
BDBM50411418
PNG
(CHEMBL234687)
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)Nc1cccc2ccccc12
Show InChI InChI=1S/C20H17N3OS/c21-12-16-15-9-3-4-11-18(15)25-19(16)23-20(24)22-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10H,3-4,9,11H2,(H2,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38alpha


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411418
PNG
(CHEMBL234687)
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)Nc1cccc2ccccc12
Show InChI InChI=1S/C20H17N3OS/c21-12-16-15-9-3-4-11-18(15)25-19(16)23-20(24)22-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10H,3-4,9,11H2,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair