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BDBM50505881 CHEMBL4447850

SMILES: Cc1ccccc1-n1cc(cn1)C(=O)NCc1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=ZWTVTWYFXGIJFS-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 = 50505881   
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
p38 MAP kinase alpha/beta


(Homo sapiens (Human))
BDBM50505881
PNG
(CHEMBL4447850)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.18E+3n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505881
PNG
(CHEMBL4447850)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
More data for this
Ligand-Target Pair