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BDBM50072551 CHEMBL3409596

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)c1

InChI Key: InChIKey=QCNKJXGMVHYABN-UHFFFAOYNA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072551   
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))
BDBM50072551
PNG
(CHEMBL3409596)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1/C23H23ClFN3O3/c24-19-2-1-17(11-20(19)25)21(14-29)28-8-4-16(13-23(28)30)15-3-7-26-22(12-15)27-18-5-9-31-10-6-18/h1-4,7-8,11-13,18,21,29H,5-6,9-10,14H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/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