BindingDB logo
myBDB logout

BDBM186820 US9670203, Compound 1.12

SMILES: Fc1c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cccc1C(F)(F)F

InChI Key: InChIKey=ZTLFXSAPVHEPGO-BVSLBCMMSA-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 = 186820   
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))
BDBM186820
PNG
(US9670203, Compound 1.12)
Show SMILES Fc1c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H18F4N4O4/c26-20-14(25(27,28)29)2-1-3-15(20)31-24(35)33-21-19-13-10-11(4-6-16(13)37-22(19)21)36-17-8-9-30-23-12(17)5-7-18(34)32-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,30,32,34)(H2,31,33,35)/t19-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+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))
BDBM186820
PNG
(US9670203, Compound 1.12)
Show SMILES Fc1c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H18F4N4O4/c26-20-14(25(27,28)29)2-1-3-15(20)31-24(35)33-21-19-13-10-11(4-6-16(13)37-22(19)21)36-17-8-9-30-23-12(17)5-7-18(34)32-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,30,32,34)(H2,31,33,35)/t19-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70E+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)


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