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BDBM308061 US10011593, Ex. 12::US9650366, 12

SMILES: OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1

InChI Key: InChIKey=LOBSULBGQKFHGX-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 308061   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM308061
PNG
(US10011593, Ex. 12 | US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F4N7O2/c26-21-9-6-19(25(27,28)29)13-22(21)32-24(38)31-20-7-4-16(5-8-20)2-3-17-12-18(15-30-14-17)23-33-35-36(34-23)10-1-11-37/h4-9,12-15,37H,1,10-11H2,(H2,31,32,38)
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8n/an/an/an/an/an/an/an/a



Allergan Inc

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10...


US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308061
PNG
(US10011593, Ex. 12 | US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F4N7O2/c26-21-9-6-19(25(27,28)29)13-22(21)32-24(38)31-20-7-4-16(5-8-20)2-3-17-12-18(15-30-14-17)23-33-35-36(34-23)10-1-11-37/h4-9,12-15,37H,1,10-11H2,(H2,31,32,38)
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1.00E+4n/an/an/an/an/an/an/an/a



Allergan Inc

US Patent


Assay Description
Biochemical PDGFRβ kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg of poly-Glu-Tyr (4:1) in...


US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM308061
PNG
(US10011593, Ex. 12 | US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F4N7O2/c26-21-9-6-19(25(27,28)29)13-22(21)32-24(38)31-20-7-4-16(5-8-20)2-3-17-12-18(15-30-14-17)23-33-35-36(34-23)10-1-11-37/h4-9,12-15,37H,1,10-11H2,(H2,31,32,38)
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n/an/a 8n/an/an/an/an/an/a



Allergan Inc

US Patent


Assay Description
VEGFR2: Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:...


US Patent US10011593 (2018)


BindingDB Entry DOI: 10.7270/Q24J0HGV
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308061
PNG
(US10011593, Ex. 12 | US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F4N7O2/c26-21-9-6-19(25(27,28)29)13-22(21)32-24(38)31-20-7-4-16(5-8-20)2-3-17-12-18(15-30-14-17)23-33-35-36(34-23)10-1-11-37/h4-9,12-15,37H,1,10-11H2,(H2,31,32,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan Inc

US Patent


Assay Description
PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...


US Patent US10011593 (2018)


BindingDB Entry DOI: 10.7270/Q24J0HGV
More data for this
Ligand-Target Pair