BindingDB logo
myBDB logout

BDBM50014409 CHEMBL3261155

SMILES: Cc1ncc(Nc2ccc(I)cc2F)c(n1)C(=O)N[C@@H]1CCC[C@@H](O)[C@H]1O

InChI Key: InChIKey=SXSCQJPLJJVMHC-UNEWFSDZSA-N

Data: 1 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 1 hit for monomerid = 50014409   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50014409
PNG
(CHEMBL3261155)
Show SMILES Cc1ncc(Nc2ccc(I)cc2F)c(n1)C(=O)N[C@@H]1CCC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H20FIN4O3/c1-9-21-8-14(23-12-6-5-10(20)7-11(12)19)16(22-9)18(27)24-13-3-2-4-15(25)17(13)26/h5-8,13,15,17,23,25-26H,2-4H2,1H3,(H,24,27)/t13-,15-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 773n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 24: 2555-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.086
BindingDB Entry DOI: 10.7270/Q2PG1T73
More data for this
Ligand-Target Pair