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BDBM50348537 CHEMBL1801376

SMILES: Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1

InChI Key: InChIKey=WKRRYRSXQAPECL-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 = 50348537   
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))
BDBM50348537
PNG
(CHEMBL1801376)
Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348537
PNG
(CHEMBL1801376)
Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair