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BDBM186829 US9670203, Compound 1.21

SMILES: Fc1ccccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12

InChI Key: InChIKey=KGUYRZDURTZEOU-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 = 186829   
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))
BDBM186829
PNG
(US9670203, Compound 1.21)
Show SMILES Fc1ccccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-15-3-1-2-4-16(15)27-24(31)29-21-20-14-11-12(5-7-17(14)33-22(20)21)32-18-9-10-26-23-13(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 66n/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))
BDBM186829
PNG
(US9670203, Compound 1.21)
Show SMILES Fc1ccccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-15-3-1-2-4-16(15)27-24(31)29-21-20-14-11-12(5-7-17(14)33-22(20)21)32-18-9-10-26-23-13(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair