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BDBM191345 US9670203, Compound 2.8

SMILES: CNC(=O)c1cc(Oc2ccc3O[C@@H]4[C@@H](NC(=O)Nc5cc(F)c(F)cc5F)[C@@H]4c3c2)ccn1

InChI Key: InChIKey=FPGVPWSNALFMJP-SYDPFBBJNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 191345   
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
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM191345
PNG
(US9670203, Compound 2.8)
Show SMILES CNC(=O)c1cc(Oc2ccc3O[C@@H]4[C@@H](NC(=O)Nc5cc(F)c(F)cc5F)[C@@H]4c3c2)ccn1 |r|
Show InChI InChI=1/C23H17F3N4O4/c1-27-22(31)17-7-11(4-5-28-17)33-10-2-3-18-12(6-10)19-20(21(19)34-18)30-23(32)29-16-9-14(25)13(24)8-15(16)26/h2-9,19-21H,1H3,(H,27,31)(H2,29,30,32)/t19-,20-,21-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.00E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM191345
PNG
(US9670203, Compound 2.8)
Show SMILES CNC(=O)c1cc(Oc2ccc3O[C@@H]4[C@@H](NC(=O)Nc5cc(F)c(F)cc5F)[C@@H]4c3c2)ccn1 |r|
Show InChI InChI=1/C23H17F3N4O4/c1-27-22(31)17-7-11(4-5-28-17)33-10-2-3-18-12(6-10)19-20(21(19)34-18)30-23(32)29-16-9-14(25)13(24)8-15(16)26/h2-9,19-21H,1H3,(H,27,31)(H2,29,30,32)/t19-,20-,21-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.30E+4n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair