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BDBM186323 US9670203, Compound 1.1 1-((1S,1aS,6bS)-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::US9670203, Compound 1.31::US9670203, Compound 1.55

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: 6 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 6 hits for monomerid = 186323   
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
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
US Patent
n/an/a 8.30E+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
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
US Patent
n/an/a 1.60E+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
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
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)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
US Patent
n/an/a 1.40E+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))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
US Patent
n/an/a 1.70E+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))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-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
Article
US Patent
n/an/a 1.70E+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