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BDBM190915 US9670203, Compound 1.79

SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@H]1CCCc2ccccc12

InChI Key: InChIKey=VZPYATCCROEPNC-PTKYUXPKNA-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 = 190915   
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))
BDBM190915
PNG
(US9670203, Compound 1.79)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24-,25-,26-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 390n/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))
BDBM190915
PNG
(US9670203, Compound 1.79)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24-,25-,26-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.20E+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