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SMILES: FC(F)(F)c1ccnc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1

InChI Key: InChIKey=OQLJNDMHGLMPJJ-ACRUOGEOSA-N

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 = 186810   
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
RAF proto-oncogene serine/threonine-protein kinase [306-648,Y340D,Y341D]


(Homo sapiens (Human))
BDBM186810
PNG
(US9670203, Compound 1.2)
Show SMILES FC(F)(F)c1ccnc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1S/C24H18F3N5O4/c25-24(26,27)11-5-7-28-17(9-11)30-23(34)32-20-19-14-10-12(1-3-15(14)36-21(19)20)35-16-6-8-29-22-13(16)2-4-18(33)31-22/h1,3,5-10,19-21H,2,4H2,(H,29,31,33)(H2,28,30,32,34)/t19-,20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 770n/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
Serine/threonine-protein kinase B-raf [416-766,V600E]


(Homo sapiens (Human))
BDBM186810
PNG
(US9670203, Compound 1.2)
Show SMILES FC(F)(F)c1ccnc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1S/C24H18F3N5O4/c25-24(26,27)11-5-7-28-17(9-11)30-23(34)32-20-19-14-10-12(1-3-15(14)36-21(19)20)35-16-6-8-29-22-13(16)2-4-18(33)31-22/h1,3,5-10,19-21H,2,4H2,(H,29,31,33)(H2,28,30,32,34)/t19-,20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+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