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BDBM190858 US9670203, Compound 1.71 1-((1R,1aR,6bR)-5-((7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-yl)-3-(3-(trifluoromethyl)phenyl)urea

SMILES: FC(F)(F)c1cccc(NC(=O)N[C@H]2[C@@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@H]23)c1

InChI Key: InChIKey=BXPZMGFJWWOVME-GSJMQOCFNA-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 = 190858   
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))
BDBM190858
PNG
(US9670203, Compound 1.71 1-((1R,1aR,6bR)-5-((7-oxo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)N[C@H]2[C@@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@H]23)c1 |r|
Show InChI InChI=1/C25H19F3N4O4/c26-25(27,28)12-2-1-3-13(10-12)30-24(34)32-21-20-16-11-14(4-6-17(16)36-22(20)21)35-18-8-9-29-23-15(18)5-7-19(33)31-23/h1-4,6,8-11,20-22H,5,7H2,(H,29,31,33)(H2,30,32,34)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/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)


BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM190858
PNG
(US9670203, Compound 1.71 1-((1R,1aR,6bR)-5-((7-oxo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)N[C@H]2[C@@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@H]23)c1 |r|
Show InChI InChI=1/C25H19F3N4O4/c26-25(27,28)12-2-1-3-13(10-12)30-24(34)32-21-20-16-11-14(4-6-17(16)36-22(20)21)35-18-8-9-29-23-15(18)5-7-19(33)31-23/h1-4,6,8-11,20-22H,5,7H2,(H,29,31,33)(H2,30,32,34)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair