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BDBM190878 US9670203, Compound 1.75 1-(2-methoxypyridin-4-yl)-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: COc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccn1

InChI Key: InChIKey=SZUXBHKEGDXWEA-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 = 190878   
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))
BDBM190878
PNG
(US9670203, Compound 1.75 1-(2-methoxypyridin-4-yl)...)
Show SMILES COc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccn1 |r|
Show InChI InChI=1/C24H21N5O5/c1-32-19-10-12(6-8-25-19)27-24(31)29-21-20-15-11-13(2-4-16(15)34-22(20)21)33-17-7-9-26-23-14(17)3-5-18(30)28-23/h2,4,6-11,20-22H,3,5H2,1H3,(H,26,28,30)(H2,25,27,29,31)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 270n/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))
BDBM190878
PNG
(US9670203, Compound 1.75 1-(2-methoxypyridin-4-yl)...)
Show SMILES COc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccn1 |r|
Show InChI InChI=1/C24H21N5O5/c1-32-19-10-12(6-8-25-19)27-24(31)29-21-20-15-11-13(2-4-16(15)34-22(20)21)33-17-7-9-26-23-14(17)3-5-18(30)28-23/h2,4,6-11,20-22H,3,5H2,1H3,(H,26,28,30)(H2,25,27,29,31)/t20-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.20E+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