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BDBM1710 CHEMBL1684064::US8470837, 5

SMILES: Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O

InChI Key: InChIKey=DCUAYYWRCHOBBW-JTQLQIEISA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1710   
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))
BDBM1710
PNG
(CHEMBL1684064 | US8470837, 5)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30n/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)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1710
PNG
(CHEMBL1684064 | US8470837, 5)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair