new BindingDB logo
myBDB logout

BDBM50072605 CHEMBL3409577

SMILES: OCC(c1cccc(c1)C(F)(F)F)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=BRSBEEDGRKMCQT-UHFFFAOYNA-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 = 50072605   
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))
BDBM50072605
PNG
(CHEMBL3409577)
Show SMILES OCC(c1cccc(c1)C(F)(F)F)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C23H23F3N4O3/c24-23(25,26)17-3-1-2-16(12-17)20(14-31)30-9-5-15(13-21(30)32)19-4-8-27-22(29-19)28-18-6-10-33-11-7-18/h1-5,8-9,12-13,18,20,31H,6-7,10-11,14H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/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