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BDBM50337932 5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione::CHEMBL1684073::US8470837, 14

SMILES: Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O

InChI Key: InChIKey=BHYRCPCOADFHLX-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50337932   
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))
BDBM50337932
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-9-14(21-12-4-3-10(19)7-11(12)18)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
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MMDB

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Similars

Article
PubMed
n/an/a 4n/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))
BDBM50337932
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-9-14(21-12-4-3-10(19)7-11(12)18)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a<5n/an/an/an/a7.325



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