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Compile Data Set for Download or QSAR

Found 436 hits with Last Name = 'bremer' and Initial = 'r'   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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Article
PubMed
n/an/a 13n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174964
PNG
(US9096593, P-2172)
Show SMILES Fc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H14ClF4N5/c21-14-5-15-13(9-29-18(15)30-10-14)3-12-4-16(22)19(28-8-12)27-7-11-1-2-17(26-6-11)20(23,24)25/h1-2,4-6,8-10H,3,7H2,(H,27,28)(H,29,30)
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US Patent
n/an/a<100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174933
PNG
(US9096593, P-2176)
Show SMILES Fc1cncc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1
Show InChI InChI=1S/C18H14ClFN6/c19-14-3-16-13(8-22-17(16)23-9-14)1-11-5-24-18(25-6-11)26-7-12-2-15(20)10-21-4-12/h2-6,8-10H,1,7H2,(H,22,23)(H,24,25,26)
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n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174967
PNG
(US9096593, P-2193)
Show SMILES COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(cc23)C#N)c(F)n1
Show InChI InChI=1S/C21H16F2N6O/c1-30-21-15(6-16(22)11-28-21)10-25-18-3-2-13(19(23)29-18)5-14-9-27-20-17(14)4-12(7-24)8-26-20/h2-4,6,8-9,11H,5,10H2,1H3,(H,25,29)(H,26,27)
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n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174925
PNG
(US9096593, P-2198)
Show SMILES CCS(=O)(=O)Nc1ccccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
Show InChI InChI=1S/C23H24FN5O2S/c1-3-32(30,31)29-20-7-5-4-6-17(20)13-25-21-9-8-16(22(24)28-21)11-18-14-27-23-19(18)10-15(2)12-26-23/h4-10,12,14,29H,3,11,13H2,1-2H3,(H,25,28)(H,26,27)
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US Patent
n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174926
PNG
(US9096593, P-2202)
Show SMILES CCS(=O)(=O)Nc1cc(F)cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c1
Show InChI InChI=1S/C23H23F2N5O2S/c1-3-33(31,32)30-19-8-15(7-18(24)10-19)12-26-21-5-4-16(22(25)29-21)9-17-13-28-23-20(17)6-14(2)11-27-23/h4-8,10-11,13,30H,3,9,12H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174935
PNG
(US9096593, P-1644)
Show SMILES FC(F)(F)c1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1
Show InChI InChI=1S/C21H15F6N5/c22-20(23,24)15-6-16-14(10-31-19(16)32-11-15)5-12-2-4-18(29-7-12)30-9-13-1-3-17(28-8-13)21(25,26)27/h1-4,6-8,10-11H,5,9H2,(H,29,30)(H,31,32)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174917
PNG
(US9096593, P-1646)
Show SMILES COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(cc34)C(F)(F)F)c(F)n2)cc1F
Show InChI InChI=1S/C21H16F5N5O/c1-32-20-16(22)4-11(8-30-20)7-27-17-3-2-12(18(23)31-17)5-13-9-28-19-15(13)6-14(10-29-19)21(24,25)26/h2-4,6,8-10H,5,7H2,1H3,(H,27,31)(H,28,29)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174909
PNG
(US9096593, P-2009)
Show SMILES Fc1cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H14ClF4N5/c21-15-5-17-13(9-26-18(17)27-10-15)1-12-7-29-19(30-8-12)28-6-11-2-14(20(23,24)25)4-16(22)3-11/h2-5,7-10H,1,6H2,(H,26,27)(H,28,29,30)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174939
PNG
(US9096593, P-2034)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4ccccc4Cl)nc3F)c2c1
Show InChI InChI=1S/C21H18ClFN4O/c1-28-16-9-17-15(11-25-21(17)26-12-16)8-13-6-7-19(27-20(13)23)24-10-14-4-2-3-5-18(14)22/h2-7,9,11-12H,8,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174945
PNG
(US9096593, P-2044)
Show SMILES Fc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12
Show InChI InChI=1S/C19H15ClFN5/c20-14-4-5-15(23-10-14)11-24-17-6-3-12(18(21)26-17)8-13-9-25-19-16(13)2-1-7-22-19/h1-7,9-10H,8,11H2,(H,22,25)(H,24,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174935
PNG
(US9096593, P-1644)
Show SMILES FC(F)(F)c1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1
Show InChI InChI=1S/C21H15F6N5/c22-20(23,24)15-6-16-14(10-31-19(16)32-11-15)5-12-2-4-18(29-7-12)30-9-13-1-3-17(28-8-13)21(25,26)27/h1-4,6-8,10-11H,5,9H2,(H,29,30)(H,31,32)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174917
PNG
(US9096593, P-1646)
Show SMILES COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(cc34)C(F)(F)F)c(F)n2)cc1F
Show InChI InChI=1S/C21H16F5N5O/c1-32-20-16(22)4-11(8-30-20)7-27-17-3-2-12(18(23)31-17)5-13-9-28-19-15(13)6-14(10-29-19)21(24,25)26/h2-4,6,8-10H,5,7H2,1H3,(H,27,31)(H,28,29)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174965
PNG
(US9096593, P-2003)
Show SMILES Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1
Show InChI InChI=1S/C19H15Cl2N5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174966
PNG
(US9096593, P-2004)
Show SMILES Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C19H15ClFN5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174909
PNG
(US9096593, P-2009)
Show SMILES Fc1cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H14ClF4N5/c21-15-5-17-13(9-26-18(17)27-10-15)1-12-7-29-19(30-8-12)28-6-11-2-14(20(23,24)25)4-16(22)3-11/h2-5,7-10H,1,6H2,(H,26,27)(H,28,29,30)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174936
PNG
(US9096593, P-2019)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1
Show InChI InChI=1S/C21H18F3N5/c1-13-6-17-16(12-29-20(17)28-8-13)7-14-3-5-19(26-9-14)27-11-15-2-4-18(25-10-15)21(22,23)24/h2-6,8-10,12H,7,11H2,1H3,(H,26,27)(H,28,29)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174929
PNG
(US9096593, P-2029)
Show SMILES COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1
Show InChI InChI=1S/C21H20FN5O/c1-13-7-17-16(12-26-21(17)25-9-13)8-15-4-5-18(27-20(15)22)23-10-14-3-6-19(28-2)24-11-14/h3-7,9,11-12H,8,10H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174930
PNG
(US9096593, P-2030)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(OC)nc4)nc3F)c2c1
Show InChI InChI=1S/C21H20FN5O2/c1-28-16-8-17-15(11-25-21(17)26-12-16)7-14-4-5-18(27-20(14)22)23-9-13-3-6-19(29-2)24-10-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174931
PNG
(US9096593, P-2031)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3F)c2c1
Show InChI InChI=1S/C21H17F4N5/c1-12-6-16-15(11-29-20(16)28-8-12)7-14-3-5-18(30-19(14)22)27-10-13-2-4-17(26-9-13)21(23,24)25/h2-6,8-9,11H,7,10H2,1H3,(H,27,30)(H,28,29)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174932
PNG
(US9096593, P-2032)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c2c1
Show InChI InChI=1S/C21H18ClFN4O/c1-28-17-9-18-15(11-25-21(18)26-12-17)8-14-4-7-19(27-20(14)23)24-10-13-2-5-16(22)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174939
PNG
(US9096593, P-2034)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4ccccc4Cl)nc3F)c2c1
Show InChI InChI=1S/C21H18ClFN4O/c1-28-16-9-17-15(11-25-21(17)26-12-16)8-13-6-7-19(27-20(13)23)24-10-14-4-2-3-5-18(14)22/h2-7,9,11-12H,8,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174942
PNG
(US9096593, P-2037)
Show SMILES COc1ccnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c12
Show InChI InChI=1S/C21H18ClFN4O/c1-28-17-8-9-24-21-19(17)15(12-26-21)10-14-4-7-18(27-20(14)23)25-11-13-2-5-16(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,24,26)(H,25,27)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174943
PNG
(US9096593, P-2038)
Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C19H17ClN6O/c1-27-17-3-2-12(6-21-17)7-24-19-25-8-13(9-26-19)4-14-10-22-18-16(14)5-15(20)11-23-18/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,23)(H,24,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174945
PNG
(US9096593, P-2044)
Show SMILES Fc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12
Show InChI InChI=1S/C19H15ClFN5/c20-14-4-5-15(23-10-14)11-24-17-6-3-12(18(21)26-17)8-13-9-25-19-16(13)2-1-7-22-19/h1-7,9-10H,8,11H2,(H,22,25)(H,24,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174947
PNG
(US9096593, P-2048)
Show SMILES COc1cnc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cc1F
Show InChI InChI=1S/C21H19F2N5O/c1-12-5-16-14(9-27-21(16)26-8-12)6-13-3-4-19(28-20(13)23)25-10-15-7-17(22)18(29-2)11-24-15/h3-5,7-9,11H,6,10H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174950
PNG
(US9096593, P-2057)
Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1
Show InChI InChI=1S/C20H20N6O/c1-13-5-17-16(12-23-19(17)22-7-13)6-15-10-25-20(26-11-15)24-9-14-3-4-18(27-2)21-8-14/h3-5,7-8,10-12H,6,9H2,1-2H3,(H,22,23)(H,24,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM174963
PNG
(US9096593, P-2165)
Show SMILES COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F
Show InChI InChI=1S/C20H16ClF2N5O/c1-29-20-16(22)4-11(8-27-20)7-24-17-3-2-12(18(23)28-17)5-13-9-25-19-15(13)6-14(21)10-26-19/h2-4,6,8-10H,5,7H2,1H3,(H,24,28)(H,25,26)
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n/an/a<100n/an/an/an/a7.525



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174923
PNG
(US9096593, P-2118)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(F)c4)nc3F)c2c1
Show InChI InChI=1S/C20H17F2N5/c1-12-6-16-15(11-26-20(16)25-9-12)8-14-2-3-18(27-19(14)22)24-10-13-4-5-23-17(21)7-13/h2-7,9,11H,8,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174924
PNG
(US9096593, P-2131)
Show SMILES Cc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)nc1
Show InChI InChI=1S/C21H20FN5/c1-13-3-5-17(23-9-13)12-24-19-6-4-15(20(22)27-19)8-16-11-26-21-18(16)7-14(2)10-25-21/h3-7,9-11H,8,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174915
PNG
(US9096593, P-2139)
Show SMILES COc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
Show InChI InChI=1S/C20H20N6O/c1-13-6-17-16(12-23-18(17)22-8-13)7-14-9-24-20(25-10-14)26-11-15-4-3-5-21-19(15)27-2/h3-6,8-10,12H,7,11H2,1-2H3,(H,22,23)(H,24,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174958
PNG
(US9096593, P-2146)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1
Show InChI InChI=1S/C21H17F4N5/c1-12-4-16-15(11-30-19(16)27-7-12)5-14-6-17(22)20(29-10-14)28-9-13-2-3-18(26-8-13)21(23,24)25/h2-4,6-8,10-11H,5,9H2,1H3,(H,27,30)(H,28,29)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174959
PNG
(US9096593, P-2147)
Show SMILES COc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1
Show InChI InChI=1S/C21H17F4N5O/c1-31-15-6-16-14(10-29-19(16)30-11-15)4-13-5-17(22)20(28-9-13)27-8-12-2-3-18(26-7-12)21(23,24)25/h2-3,5-7,9-11H,4,8H2,1H3,(H,27,28)(H,29,30)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174916
PNG
(US9096593, P-2148)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4cccnc4OC4CCCC4)nc3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-16-9-21-19(15-27-22(21)26-11-16)10-17-12-28-24(29-13-17)30-14-18-5-4-8-25-23(18)31-20-6-2-3-7-20/h4-5,8-9,11-13,15,20H,2-3,6-7,10,14H2,1H3,(H,26,27)(H,28,29,30)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174960
PNG
(US9096593, P-2154)
Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1
Show InChI InChI=1S/C18H16ClN5OS/c1-25-16-3-2-11(6-20-16)7-23-18-24-10-14(26-18)4-12-8-21-17-15(12)5-13(19)9-22-17/h2-3,5-6,8-10H,4,7H2,1H3,(H,21,22)(H,23,24)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174961
PNG
(US9096593, P-2157)
Show SMILES Cn1cc(F)cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1=O
Show InChI InChI=1S/C19H16ClFN6O/c1-27-10-15(21)3-13(18(27)28)8-26-19-24-5-11(6-25-19)2-12-7-22-17-16(12)4-14(20)9-23-17/h3-7,9-10H,2,8H2,1H3,(H,22,23)(H,24,25,26)
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n/an/a>100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174962
PNG
(US9096593, P-2163)
Show SMILES COc1cccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)s2)n1
Show InChI InChI=1S/C18H16ClN5OS/c1-25-16-4-2-3-13(24-16)9-22-18-23-10-14(26-18)5-11-7-20-17-15(11)6-12(19)8-21-17/h2-4,6-8,10H,5,9H2,1H3,(H,20,21)(H,22,23)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174963
PNG
(US9096593, P-2165)
Show SMILES COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F
Show InChI InChI=1S/C20H16ClF2N5O/c1-29-20-16(22)4-11(8-27-20)7-24-17-3-2-12(18(23)28-17)5-13-9-25-19-15(13)6-14(21)10-26-19/h2-4,6,8-10H,5,7H2,1H3,(H,24,28)(H,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174964
PNG
(US9096593, P-2172)
Show SMILES Fc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H14ClF4N5/c21-14-5-15-13(9-29-18(15)30-10-14)3-12-4-16(22)19(28-8-12)27-7-11-1-2-17(26-6-11)20(23,24)25/h1-2,4-6,8-10H,3,7H2,(H,27,28)(H,29,30)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174933
PNG
(US9096593, P-2176)
Show SMILES Fc1cncc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1
Show InChI InChI=1S/C18H14ClFN6/c19-14-3-16-13(8-22-17(16)23-9-14)1-11-5-24-18(25-6-11)26-7-12-2-15(20)10-21-4-12/h2-6,8-10H,1,7H2,(H,22,23)(H,24,25,26)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174967
PNG
(US9096593, P-2193)
Show SMILES COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(cc23)C#N)c(F)n1
Show InChI InChI=1S/C21H16F2N6O/c1-30-21-15(6-16(22)11-28-21)10-25-18-3-2-13(19(23)29-18)5-14-9-27-20-17(14)4-12(7-24)8-26-20/h2-4,6,8-9,11H,5,10H2,1H3,(H,25,29)(H,26,27)
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n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174925
PNG
(US9096593, P-2198)
Show SMILES CCS(=O)(=O)Nc1ccccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
Show InChI InChI=1S/C23H24FN5O2S/c1-3-32(30,31)29-20-7-5-4-6-17(20)13-25-21-9-8-16(22(24)28-21)11-18-14-27-23-19(18)10-15(2)12-26-23/h4-10,12,14,29H,3,11,13H2,1-2H3,(H,25,28)(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
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UniChem

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US Patent
n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM174926
PNG
(US9096593, P-2202)
Show SMILES CCS(=O)(=O)Nc1cc(F)cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c1
Show InChI InChI=1S/C23H23F2N5O2S/c1-3-33(31,32)30-19-8-15(7-18(24)10-19)12-26-21-5-4-16(22(25)29-21)9-17-13-28-23-20(17)6-14(2)11-27-23/h4-8,10-11,13,30H,3,9,12H2,1-2H3,(H,26,29)(H,27,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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US Patent
n/an/a<100n/an/an/an/a7.530



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylati...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174940
PNG
(US9096593, P-1554)
Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1
Show InChI InChI=1S/C22H23N5O/c1-14-6-19-18(13-27-22(19)24-9-14)8-17-7-15(2)21(26-12-17)25-11-16-4-5-20(28-3)23-10-16/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,24,27)(H,25,26)
PDB

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US Patent
n/an/a<100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174941
PNG
(US9096593, P-1562)
Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2F)cn1
Show InChI InChI=1S/C21H20FN5O/c1-13-5-17-16(12-27-20(17)24-8-13)6-15-7-18(22)21(26-11-15)25-10-14-3-4-19(28-2)23-9-14/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,24,27)(H,25,26)
PDB

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PC sid
UniChem

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US Patent
n/an/a<100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174934
PNG
(US9096593, P-1622)
Show SMILES COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(F)cc34)c(F)n2)cn1
Show InChI InChI=1S/C20H17F2N5O/c1-28-18-5-2-12(9-24-18)8-23-17-4-3-13(19(22)27-17)6-14-10-25-20-16(14)7-15(21)11-26-20/h2-5,7,9-11H,6,8H2,1H3,(H,23,27)(H,25,26)
PDB

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GoogleScholar
PC cid
PC sid
UniChem

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US Patent
n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174938
PNG
(US9096593, P-1679)
Show SMILES CS(=O)(=O)Nc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1
Show InChI InChI=1S/C20H18ClFN6O2S/c1-31(29,30)28-15-7-16-14(10-25-20(16)26-11-15)6-13-3-5-18(27-19(13)22)24-9-12-2-4-17(21)23-8-12/h2-5,7-8,10-11,28H,6,9H2,1H3,(H,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174927
PNG
(US9096593, P-2001)
Show SMILES Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)c1
Show InChI InChI=1S/C19H14ClF2N5/c20-14-5-16-13(8-25-19(16)26-9-14)4-12-1-2-17(27-18(12)22)24-7-11-3-15(21)10-23-6-11/h1-3,5-6,8-10H,4,7H2,(H,24,27)(H,25,26)
PDB

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PC sid
UniChem

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US Patent
n/an/a>100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174965
PNG
(US9096593, P-2003)
Show SMILES Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1
Show InChI InChI=1S/C19H15Cl2N5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174966
PNG
(US9096593, P-2004)
Show SMILES Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C19H15ClFN5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/a7.5n/a



Plexxikon Inc.

US Patent


Assay Description
In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphoryla...


US Patent US9096593 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DXR
More data for this
Ligand-Target Pair
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