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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 197677   
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))
BDBM197677
PNG
(US9216981, 5 | US9550781, 1)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C19H17F2N7O2S/c1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17/h3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay


Bioorg Med Chem 24: 2215-34 (2016)


Article DOI: 10.1016/j.bmc.2016.03.055
BindingDB Entry DOI: 10.7270/Q21C1ZS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM197677
PNG
(US9216981, 5 | US9550781, 1)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C19H17F2N7O2S/c1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17/h3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type B-Raf (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay


Bioorg Med Chem 24: 2215-34 (2016)


Article DOI: 10.1016/j.bmc.2016.03.055
BindingDB Entry DOI: 10.7270/Q21C1ZS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM197677
PNG
(US9216981, 5 | US9550781, 1)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C19H17F2N7O2S/c1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17/h3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26)
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US Patent
n/an/a 23n/an/an/an/a7.230



Medpacto, Inc.

US Patent


Assay Description
To check the B-Raf kinase inhibitory activity of the compounds of the present invention, the following experiments were conducted.(1) Serial Signalin...


US Patent US9216981 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XCR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM197677
PNG
(US9216981, 5 | US9550781, 1)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C19H17F2N7O2S/c1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17/h3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26)
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n/an/a 24n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human A375 cells assessed as ERK phosphorylation preincubated for 1 hr by Western blot method


Bioorg Med Chem 24: 2215-34 (2016)


Article DOI: 10.1016/j.bmc.2016.03.055
BindingDB Entry DOI: 10.7270/Q21C1ZS0
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2 [740-753]


()
BDBM197677
PNG
(US9216981, 5 | US9550781, 1)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C19H17F2N7O2S/c1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17/h3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Centaurus Biopharma Co., Ltd.; Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
In vitro B-RAF Kinase Assay. To determine iIn vitro activities of recombinant B-RAF enzyme, a Homogeneous Time-Resolved Fluorescence (HTRF) assay was...


US Patent US9550781 (2017)


BindingDB Entry DOI: 10.7270/Q2X63PXK
More data for this
Ligand-Target Pair