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SMILES: Fc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1F

InChI Key: InChIKey=CQZCGOIUHBLHBQ-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072156   
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))
BDBM50072156
PNG
(2,3-Bis-[1-amino-1-(2-fluoro-phenylsulfanyl)-meth-...)
Show SMILES Fc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1F
Show InChI InChI=1S/C18H12F2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 900n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Non-competitive inhibition of the dual specificity kinase MEK


Bioorg Med Chem Lett 8: 2839-44 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50072156
PNG
(2,3-Bis-[1-amino-1-(2-fluoro-phenylsulfanyl)-meth-...)
Show SMILES Fc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1F
Show InChI InChI=1S/C18H12F2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair