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Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf [V600E]' and Ligand = 'BDBM16673'   
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 [V600E]


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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US Patent
n/an/a 12.7n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 42n/an/an/an/a7.525



Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North One Road, Hongkou District, Shanghai, 200437, China



Assay Description
Compounds were prepared in DMSO at 10mmol/L and serially diluted in a 96-well plate as the source plate. The intermediate plate consists of 4µL...


Chem Biol Drug Des 83: 27-36 (2014)


Article DOI: 10.1111/cbdd.12198
BindingDB Entry DOI: 10.7270/Q2VH5MHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 43n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)