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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 1716   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM1716
PNG
(CHEMBL1684072 | US8470837, 17)
Show SMILES Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C16H13F2IN4O3/c1-22-14-11(15(25)23(4-5-24)7-20-14)13(12(18)16(22)26)21-10-3-2-8(19)6-9(10)17/h2-3,6-7,21,24H,4-5H2,1H3
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 8.60n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1716
PNG
(CHEMBL1684072 | US8470837, 17)
Show SMILES Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C16H13F2IN4O3/c1-22-14-11(15(25)23(4-5-24)7-20-14)13(12(18)16(22)26)21-10-3-2-8(19)6-9(10)17/h2-3,6-7,21,24H,4-5H2,1H3
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


Citation and Details
More data for this
Ligand-Target Pair