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BDBM1711 CHEMBL1684067::US8470837, 8

InChI string: InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1

SMILES: Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O

InChI Key: InChIKey=BUNLJQFWCXRHOQ-LLVKDONJSA-N

Data: 2 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 2 hits for monomerid = 1711   
Target
(Institution)
LigandTarget
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))
BDBM1711
PNG
(CHEMBL1684067 | US8470837, 8)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 3.80n/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))
BDBM1711
PNG
(CHEMBL1684067 | US8470837, 8)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a<5n/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)

More data for this
Ligand-Target Pair