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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 3884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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n/an/a 5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185585
PNG
(US9156852, 16 | USRE47451, Example 16)
Show SMILES COc1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C24H20N6O2S/c1-13-3-8-17-16(9-10-26-23(17)29-14-4-6-15(32-2)7-5-14)19(13)30-24(31)18-11-33-21-20(18)27-12-28-22(21)25/h3-12H,1-2H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185588
PNG
(US9156852, 59 | USRE47451, Example 59)
Show SMILES CN(C)Cc1cc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)ccc1Cl
Show InChI InChI=1S/C26H24ClN7OS/c1-14-4-6-18-17(21(14)33-26(35)19-12-36-23-22(19)30-13-31-24(23)28)8-9-29-25(18)32-16-5-7-20(27)15(10-16)11-34(2)3/h4-10,12-13H,11H2,1-3H3,(H,29,32)(H,33,35)(H2,28,30,31)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185588
PNG
(US9156852, 59 | USRE47451, Example 59)
Show SMILES CN(C)Cc1cc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)ccc1Cl
Show InChI InChI=1S/C26H24ClN7OS/c1-14-4-6-18-17(21(14)33-26(35)19-12-36-23-22(19)30-13-31-24(23)28)8-9-29-25(18)32-16-5-7-20(27)15(10-16)11-34(2)3/h4-10,12-13H,11H2,1-3H3,(H,29,32)(H,33,35)(H2,28,30,31)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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n/an/a 7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185589
PNG
(US9156852, 83 | USRE47451, Example 83)
Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185585
PNG
(US9156852, 16 | USRE47451, Example 16)
Show SMILES COc1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C24H20N6O2S/c1-13-3-8-17-16(9-10-26-23(17)29-14-4-6-15(32-2)7-5-14)19(13)30-24(31)18-11-33-21-20(18)27-12-28-22(21)25/h3-12H,1-2H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 22n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 23n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 23n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185587
PNG
(US9156852, 50 | USRE47451, Example 50)
Show SMILES Cc1ccc2c(Nc3ccc(OC(F)F)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C24H18F2N6O2S/c1-12-2-7-16-15(8-9-28-22(16)31-13-3-5-14(6-4-13)34-24(25)26)18(12)32-23(33)17-10-35-20-19(17)29-11-30-21(20)27/h2-11,24H,1H3,(H,28,31)(H,32,33)(H2,27,29,30)
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n/an/a 26n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 31n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM185585
PNG
(US9156852, 16 | USRE47451, Example 16)
Show SMILES COc1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
Show InChI InChI=1S/C24H20N6O2S/c1-13-3-8-17-16(9-10-26-23(17)29-14-4-6-15(32-2)7-5-14)19(13)30-24(31)18-11-33-21-20(18)27-12-28-22(21)25/h3-12H,1-2H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 32n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM185587
PNG
(US9156852, 50 | USRE47451, Example 50)
Show SMILES Cc1ccc2c(Nc3ccc(OC(F)F)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C24H18F2N6O2S/c1-12-2-7-16-15(8-9-28-22(16)31-13-3-5-14(6-4-13)34-24(25)26)18(12)32-23(33)17-10-35-20-19(17)29-11-30-21(20)27/h2-11,24H,1H3,(H,28,31)(H,32,33)(H2,27,29,30)
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n/an/a 32n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185588
PNG
(US9156852, 59 | USRE47451, Example 59)
Show SMILES CN(C)Cc1cc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)ccc1Cl
Show InChI InChI=1S/C26H24ClN7OS/c1-14-4-6-18-17(21(14)33-26(35)19-12-36-23-22(19)30-13-31-24(23)28)8-9-29-25(18)32-16-5-7-20(27)15(10-16)11-34(2)3/h4-10,12-13H,11H2,1-3H3,(H,29,32)(H,33,35)(H2,28,30,31)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 44n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 50n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185591
PNG
(US9156852, 116 | USRE47451, Example 116)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 56n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 57n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 66n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 71n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM185586
PNG
(US9156852, 38 | USRE47451, Example 38)
Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 93n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 121n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185587
PNG
(US9156852, 50 | USRE47451, Example 50)
Show SMILES Cc1ccc2c(Nc3ccc(OC(F)F)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C24H18F2N6O2S/c1-12-2-7-16-15(8-9-28-22(16)31-13-3-5-14(6-4-13)34-24(25)26)18(12)32-23(33)17-10-35-20-19(17)29-11-30-21(20)27/h2-11,24H,1H3,(H,28,31)(H,32,33)(H2,27,29,30)
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n/an/a 128n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D]


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 128n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 160n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 179n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM185590
PNG
(US9156852, 105 | USRE47451, Example 105)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
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n/an/a 181n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765]


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 344n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2XW4N61
More data for this
Ligand-Target Pair