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SMILES: COc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1OC

InChI Key: InChIKey=YTILTNKFSAUCAQ-UHFFFAOYSA-N

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   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 = 50072155   
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))
BDBM50072155
PNG
(2,3-Bis-[1-amino-1-(2-methoxy-phenylsulfanyl)-meth...)
Show SMILES COc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1OC
Show InChI InChI=1S/C20H18N4O2S2/c1-25-15-7-3-5-9-17(15)27-19(23)13(11-21)14(12-22)20(24)28-18-10-6-4-8-16(18)26-2/h3-10,13-14,23-24H,1-2H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.50E+3n/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))
BDBM50072155
PNG
(2,3-Bis-[1-amino-1-(2-methoxy-phenylsulfanyl)-meth...)
Show SMILES COc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1OC
Show InChI InChI=1S/C20H18N4O2S2/c1-25-15-7-3-5-9-17(15)27-19(23)13(11-21)14(12-22)20(24)28-18-10-6-4-8-16(18)26-2/h3-10,13-14,23-24H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the dual specificity kinase MEK-1


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


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