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BDBM50468565 CHEMBL4277125

SMILES: COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1

InChI Key: InChIKey=FIVPBDOYVACZJP-UHFFFAOYSA-N

Data: 6 IC50

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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 6 hits for monomerid = 50468565   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal flag-tagged JNK1 (unknown origin) expressed in baculovirus expression system after 60 mins in presence of [gamma-32P]ATP by ...


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
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UniChem
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n/an/a>2.00E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged c-RAF (306 to 648 residues) Y340D/Y341D mutant expressed in baculovirus expression system using recombinan...


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
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PC cid
PC sid
UniChem
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n/an/a 60n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged wild type BRAF expressed in baculovirus expression system using recombinant human full length ...


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
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KEGG

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UniChem
Article
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n/an/a 1.95E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 (unknown origin)


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50468565
PNG
(CHEMBL4277125)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)
PDB
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NCI pathway
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal flag-tagged p38alpha (unknown origin) expressed in baculovirus expression system using MBP as substrate preincubated for 5 m...


Eur J Med Chem 155: 725-735 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8
More data for this
Ligand-Target Pair