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BDBM190870 US9670203, Compound 1.73 1-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)-3-((1S,1aS,6bS)-5-((7-oxo-5,6,7,8-tetrahydro-1, 8-naphthyridin-4-yl)oxy)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-yl)urea

SMILES: CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7NC(=O)CCc67)cc5[C@@H]34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=ZRUPBLAJHMUPHL-KMVAOFPZNA-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 = 190870   
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))
BDBM190870
PNG
(US9670203, Compound 1.73 1-(4-((4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7NC(=O)CCc67)cc5[C@@H]34)cc2C(F)(F)F)CC1 |r|
Show InChI InChI=1/C32H33F3N6O4/c1-2-40-11-13-41(14-12-40)17-18-3-4-19(15-23(18)32(33,34)35)37-31(43)39-28-27-22-16-20(5-7-24(22)45-29(27)28)44-25-9-10-36-30-21(25)6-8-26(42)38-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,36,38,42)(H2,37,39,43)/t27-,28-,29-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 840n/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))
BDBM190870
PNG
(US9670203, Compound 1.73 1-(4-((4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7NC(=O)CCc67)cc5[C@@H]34)cc2C(F)(F)F)CC1 |r|
Show InChI InChI=1/C32H33F3N6O4/c1-2-40-11-13-41(14-12-40)17-18-3-4-19(15-23(18)32(33,34)35)37-31(43)39-28-27-22-16-20(5-7-24(22)45-29(27)28)44-25-9-10-36-30-21(25)6-8-26(42)38-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,36,38,42)(H2,37,39,43)/t27-,28-,29-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.30E+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