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SMILES: CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1

InChI Key: InChIKey=HTYLSAJYCQVPBD-UHFFFAOYSA-N

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 6 hits for monomerid = 365352   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
PDB
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n/an/a 7n/an/an/an/an/an/a



Amgen



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...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2DB8465
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
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n/an/a 551n/an/an/an/an/an/a



Amgen



Assay Description
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, pH 7.2...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2DB8465
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
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n/an/a 551n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
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, pH 7.2...


US Patent US10669265 (2020)

More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
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n/an/a 551n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
PKR: Commercially available recombinant human GST-PKR (1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10...


US Patent US10633373 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
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n/an/a 7n/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 US10669265 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM365352
PNG
(N-[dimethyl(oxido)-lambda4- sulfanylidene]-5-{5-[(...)
Show SMILES CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C24H18F4N4O3S2/c1-37(2,35)32-22(33)15-7-14(11-29-12-15)21-9-13-8-17(4-6-20(13)36-21)30-23(34)31-19-10-16(24(26,27)28)3-5-18(19)25/h3-12H,1-2H3,(H2,30,31,34)
PDB
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n/an/a 7n/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 US10633373 (2020)

More data for this
Ligand-Target Pair