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BDBM50072558 CHEMBL3409568

SMILES: Fc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1Cl

InChI Key: InChIKey=ZFIVXDMTQOXNGE-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50072558   
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 1


(Homo sapiens (Human))
BDBM50072558
PNG
(CHEMBL3409568)
Show SMILES Fc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1Cl
Show InChI InChI=1S/C21H20ClFN4O2/c22-17-11-14(1-2-18(17)23)13-27-8-4-15(12-20(27)28)19-3-7-24-21(26-19)25-16-5-9-29-10-6-16/h1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


J Med Chem 58: 1976-91 (2015)


Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7
More data for this
Ligand-Target Pair