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BDBM186811 US9670203, Compound 1.3

SMILES: COc1ccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1

InChI Key: InChIKey=XRBFMVHIERTUDE-PCVIEKKKNA-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 = 186811   
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))
BDBM186811
PNG
(US9670203, Compound 1.3)
Show SMILES COc1ccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C26H24N4O5/c1-33-15-4-2-14(3-5-15)13-28-26(32)30-23-22-18-12-16(6-8-19(18)35-24(22)23)34-20-10-11-27-25-17(20)7-9-21(31)29-25/h2-6,8,10-12,22-24H,7,9,13H2,1H3,(H,27,29,31)(H2,28,30,32)/t22-,23-,24-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 540n/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))
BDBM186811
PNG
(US9670203, Compound 1.3)
Show SMILES COc1ccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C26H24N4O5/c1-33-15-4-2-14(3-5-15)13-28-26(32)30-23-22-18-12-16(6-8-19(18)35-24(22)23)34-20-10-11-27-25-17(20)7-9-21(31)29-25/h2-6,8,10-12,22-24H,7,9,13H2,1H3,(H,27,29,31)(H2,28,30,32)/t22-,23-,24-/s2
PDB

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


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