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BDBM189824 US9670203, Compound 1.52

SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCCC1

InChI Key: InChIKey=GGEOUOVALKIWFZ-PJNYIELRNA-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 = 189824   
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))
BDBM189824
PNG
(US9670203, Compound 1.52)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCCC1 |r|
Show InChI InChI=1/C25H28N4O4/c30-20-10-8-16-19(11-12-26-24(16)28-20)32-15-7-9-18-17(13-15)21-22(23(21)33-18)29-25(31)27-14-5-3-1-2-4-6-14/h7,9,11-14,21-23H,1-6,8,10H2,(H,26,28,30)(H2,27,29,31)/t21-,22-,23-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 250n/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))
BDBM189824
PNG
(US9670203, Compound 1.52)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCCC1 |r|
Show InChI InChI=1/C25H28N4O4/c30-20-10-8-16-19(11-12-26-24(16)28-20)32-15-7-9-18-17(13-15)21-22(23(21)33-18)29-25(31)27-14-5-3-1-2-4-6-14/h7,9,11-14,21-23H,1-6,8,10H2,(H,26,28,30)(H2,27,29,31)/t21-,22-,23-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.40E+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