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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50118418   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth...


J Med Chem 58: 7431-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00931
BindingDB Entry DOI: 10.7270/Q2FT8NV1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length His6-tagged BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in baculovirus system by B-Raf accelerated MEK...


Bioorg Med Chem Lett 26: 3355-3358 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.033
BindingDB Entry DOI: 10.7270/Q27083BJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.033
BindingDB Entry DOI: 10.7270/Q27083BJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00931
BindingDB Entry DOI: 10.7270/Q2FT8NV1
More data for this
Ligand-Target Pair