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BDBM50072546 CHEMBL3409590

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(c(F)c1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=BDIRGDVPAXGXBM-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072546   
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))
BDBM50072546
PNG
(CHEMBL3409590)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(c(F)c1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H21ClF2N4O3/c23-16-2-1-13(11-17(16)24)19(12-30)29-8-4-15(20(25)21(29)31)18-3-7-26-22(28-18)27-14-5-9-32-10-6-14/h1-4,7-8,11,14,19,30H,5-6,9-10,12H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/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