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BDBM186817 US9670203, Compound 1.9

SMILES: FC(F)(F)c1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12

InChI Key: InChIKey=NMXIZHLCNCWEPN-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 = 186817   
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))
BDBM186817
PNG
(US9670203, Compound 1.9)
Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C25H18ClF3N4O4/c26-11-1-4-16(15(9-11)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-/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
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186817
PNG
(US9670203, Compound 1.9)
Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C25H18ClF3N4O4/c26-11-1-4-16(15(9-11)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-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 9.50E+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