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BDBM186833 US9670203, Compound 1.25

SMILES: FC(F)(F)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccc1Cl

InChI Key: InChIKey=FDPHNNRUGYIQPU-FKBYEOEOSA-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 = 186833   
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))
BDBM186833
PNG
(US9670203, Compound 1.25)
Show SMILES FC(F)(F)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccc1Cl |r|
Show InChI InChI=1S/C25H18ClF3N4O4/c26-16-4-1-11(9-15(16)25(27,28)29)31-24(35)33-21-20-14-10-12(2-5-17(14)37-22(20)21)36-18-7-8-30-23-13(18)3-6-19(34)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,32,34)(H2,31,33,35)/t20-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30E+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)


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


(Homo sapiens (Human))
BDBM186833
PNG
(US9670203, Compound 1.25)
Show SMILES FC(F)(F)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccc1Cl |r|
Show InChI InChI=1S/C25H18ClF3N4O4/c26-16-4-1-11(9-15(16)25(27,28)29)31-24(35)33-21-20-14-10-12(2-5-17(14)37-22(20)21)36-18-7-8-30-23-13(18)3-6-19(34)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,32,34)(H2,31,33,35)/t20-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+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)


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