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BDBM190853 US9670203, Compound 1.70 1-(3-(2-aminopropan-2-yl)-5-(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: CC(C)(N)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc(c1)C(F)(F)F

InChI Key: InChIKey=CFJBNDJOJOJNMA-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 = 190853   
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))
BDBM190853
PNG
(US9670203, Compound 1.70 1-(3-(2-aminopropan-2-yl)...)
Show SMILES CC(C)(N)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc(c1)C(F)(F)F |r|
Show InChI InChI=1/C28H26F3N5O4/c1-27(2,32)13-9-14(28(29,30)31)11-15(10-13)34-26(38)36-23-22-18-12-16(3-5-19(18)40-24(22)23)39-20-7-8-33-25-17(20)4-6-21(37)35-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,33,35,37)(H2,34,36,38)/t22-,23-,24-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 810n/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))
BDBM190853
PNG
(US9670203, Compound 1.70 1-(3-(2-aminopropan-2-yl)...)
Show SMILES CC(C)(N)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc(c1)C(F)(F)F |r|
Show InChI InChI=1/C28H26F3N5O4/c1-27(2,32)13-9-14(28(29,30)31)11-15(10-13)34-26(38)36-23-22-18-12-16(3-5-19(18)40-24(22)23)39-20-7-8-33-25-17(20)4-6-21(37)35-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,33,35,37)(H2,34,36,38)/t22-,23-,24-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.40E+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