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BDBM50520261 CHEMBL4558635

SMILES: Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O

InChI Key: InChIKey=XBIZZCKEMRXBBW-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 = 50520261   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50520261
PNG
(CHEMBL4558635)
Show SMILES Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50520261
PNG
(CHEMBL4558635)
Show SMILES Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair