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BDBM189930 US9670203, Compound 1.66

SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCC1

InChI Key: InChIKey=QEYKBGQLDVIDJQ-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 = 189930   
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))
BDBM189930
PNG
(US9670203, Compound 1.66)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCC1 |r|
Show InChI InChI=1/C24H26N4O4/c29-19-9-7-15-18(10-11-25-23(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)28-24(30)26-13-4-2-1-3-5-13/h6,8,10-13,20-22H,1-5,7,9H2,(H,25,27,29)(H2,26,28,30)/t20-,21-,22-/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))
BDBM189930
PNG
(US9670203, Compound 1.66)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCC1 |r|
Show InChI InChI=1/C24H26N4O4/c29-19-9-7-15-18(10-11-25-23(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)28-24(30)26-13-4-2-1-3-5-13/h6,8,10-13,20-22H,1-5,7,9H2,(H,25,27,29)(H2,26,28,30)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.30E+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