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Compile Data Set for Download or QSAR

Found 403 hits Enz. Inhib. hit(s) with all data for entry = 7106   
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
Receptor-type tyrosine-protein kinase 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
Receptor-type tyrosine-protein kinase 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
Receptor-type tyrosine-protein kinase 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
Mast/stem cell growth factor receptor Kit


(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/a7.5n/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))
BDBM174928
PNG
(US9096593, P-2028)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4cncc(F)c4)nc3F)c2c1
Show InChI InChI=1S/C20H17F2N5O/c1-28-16-6-17-14(9-25-20(17)26-11-16)5-13-2-3-18(27-19(13)22)24-8-12-4-15(21)10-23-7-12/h2-4,6-7,9-11H,5,8H2,1H3,(H,24,27)(H,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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
BDBM174944
PNG
(US9096593, P-2043)
Show SMILES COc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4OC)nc3F)c2c1
Show InChI InChI=1S/C21H20FN5O2/c1-28-16-9-17-15(11-25-20(17)26-12-16)8-13-5-6-18(27-19(13)22)24-10-14-4-3-7-23-21(14)29-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,27)(H,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))
BDBM174946
PNG
(US9096593, P-2045)
Show SMILES COc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1
Show InChI InChI=1S/C20H18FN5O/c1-27-20-14(4-2-9-23-20)11-24-17-7-6-13(18(21)26-17)10-15-12-25-19-16(15)5-3-8-22-19/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26)
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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))
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/a7.5n/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))
BDBM174948
PNG
(US9096593, P-2049)
Show SMILES COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
Show InChI InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,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))
BDBM174949
PNG
(US9096593, P-2052)
Show SMILES COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
Show InChI InChI=1S/C21H20FN5O/c1-13-8-17-16(12-26-20(17)25-10-13)9-14-5-6-18(27-19(14)22)24-11-15-4-3-7-23-21(15)28-2/h3-8,10,12H,9,11H2,1-2H3,(H,24,27)(H,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))
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/a7.5n/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))
BDBM174918
PNG
(US9096593, P-2061)
Show SMILES COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
Show InChI InChI=1S/C20H19FN6O/c1-12-3-17-14(9-23-18(17)22-6-12)4-13-7-25-20(26-8-13)27-10-15-5-16(21)11-24-19(15)28-2/h3,5-9,11H,4,10H2,1-2H3,(H,22,23)(H,25,26,27)
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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))
BDBM174951
PNG
(US9096593, P-2062)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3F)c2c1
Show InChI InChI=1S/C21H17F4N5/c1-12-6-16-14(10-29-20(16)28-8-12)7-13-2-3-18(30-19(13)22)27-11-15-9-26-5-4-17(15)21(23,24)25/h2-6,8-10H,7,11H2,1H3,(H,27,30)(H,28,29)
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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))
BDBM174952
PNG
(US9096593, P-2063)
Show SMILES FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-13(9-28-19(16)29-11-15)5-12-1-2-18(26-7-12)27-10-14-8-25-4-3-17(14)20(22,23)24/h1-4,6-9,11H,5,10H2,(H,26,27)(H,28,29)
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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))
BDBM174919
PNG
(US9096593, P-2064)
Show SMILES COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
Show InChI InChI=1S/C19H16ClFN6O/c1-28-18-13(3-15(21)10-24-18)8-27-19-25-5-11(6-26-19)2-12-7-22-17-16(12)4-14(20)9-23-17/h3-7,9-10H,2,8H2,1H3,(H,22,23)(H,25,26,27)
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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))
BDBM174953
PNG
(US9096593, P-2067)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(C)c4)nc3F)c2c1
Show InChI InChI=1S/C21H20FN5/c1-13-7-18-17(12-26-21(18)25-10-13)9-16-3-4-19(27-20(16)22)24-11-15-5-6-23-14(2)8-15/h3-8,10,12H,9,11H2,1-2H3,(H,24,27)(H,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))
BDBM174954
PNG
(US9096593, P-2070)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3)c2c1
Show InChI InChI=1S/C21H18F3N5/c1-13-6-17-15(11-29-20(17)28-8-13)7-14-2-3-19(26-9-14)27-12-16-10-25-5-4-18(16)21(22,23)24/h2-6,8-11H,7,12H2,1H3,(H,26,27)(H,28,29)
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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))
BDBM174955
PNG
(US9096593, P-2071)
Show SMILES COc1cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(F)cn1
Show InChI InChI=1S/C21H19F2N5O/c1-12-5-16-14(9-27-21(16)26-8-12)6-13-3-4-18(28-20(13)23)24-10-15-7-19(29-2)25-11-17(15)22/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(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))
BDBM174956
PNG
(US9096593, P-2073)
Show SMILES COc1ncc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cc1F
Show InChI InChI=1S/C20H19FN6O/c1-12-3-16-15(11-23-18(16)22-6-12)4-13-8-25-20(26-9-13)27-10-14-5-17(21)19(28-2)24-7-14/h3,5-9,11H,4,10H2,1-2H3,(H,22,23)(H,25,26,27)
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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))
BDBM174957
PNG
(US9096593, P-2075)
Show SMILES Cc1cc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)ccn1
Show InChI InChI=1S/C20H17ClFN5/c1-12-6-13(4-5-23-12)9-24-18-3-2-14(19(22)27-18)7-15-10-25-20-17(15)8-16(21)11-26-20/h2-6,8,10-11H,7,9H2,1H3,(H,24,27)(H,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))
BDBM174911
PNG
(US9096593, P-2078)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(Cl)nc4)nc3)c2c1
Show InChI InChI=1S/C19H17ClN6/c1-12-4-16-15(11-23-18(16)22-6-12)5-14-9-25-19(26-10-14)24-8-13-2-3-17(20)21-7-13/h2-4,6-7,9-11H,5,8H2,1H3,(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))
BDBM174912
PNG
(US9096593, P-2079)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(C)n4)nc3)c2c1
Show InChI InChI=1S/C20H20N6/c1-13-6-18-16(11-22-19(18)21-8-13)7-15-9-23-20(24-10-15)25-12-17-5-3-4-14(2)26-17/h3-6,8-11H,7,12H2,1-2H3,(H,21,22)(H,23,24,25)
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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))
BDBM174913
PNG
(US9096593, P-2081)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCOCC4)nc3)c2c1
Show InChI InChI=1S/C23H25N7O/c1-16-9-20-18(14-25-22(20)24-11-16)10-17-12-26-23(27-13-17)28-15-19-3-2-4-21(29-19)30-5-7-31-8-6-30/h2-4,9,11-14H,5-8,10,15H2,1H3,(H,24,25)(H,26,27,28)
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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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174914
PNG
(US9096593, P-2082)
Show SMILES Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCCC4)nc3)c2c1
Show InChI InChI=1S/C23H25N7/c1-16-9-20-18(14-25-22(20)24-11-16)10-17-12-26-23(27-13-17)28-15-19-5-4-6-21(29-19)30-7-2-3-8-30/h4-6,9,11-14H,2-3,7-8,10,15H2,1H3,(H,24,25)(H,26,27,28)
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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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM174920
PNG
(US9096593, P-2088)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1
Show InChI InChI=1S/C20H17ClFN5/c1-12-6-16-15(11-26-20(16)25-8-12)7-14-3-5-18(27-19(14)22)24-10-13-2-4-17(21)23-9-13/h2-6,8-9,11H,7,10H2,1H3,(H,24,27)(H,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))
BDBM174921
PNG
(US9096593, P-2097)
Show SMILES COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(OC)n1
Show InChI InChI=1S/C22H22FN5O2/c1-13-8-17-16(12-26-21(17)25-10-13)9-14-4-6-18(27-20(14)23)24-11-15-5-7-19(29-2)28-22(15)30-3/h4-8,10,12H,9,11H2,1-3H3,(H,24,27)(H,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))
BDBM174922
PNG
(US9096593, P-2103)
Show SMILES Cc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1
Show InChI InChI=1S/C20H17F2N5/c1-12-7-16-15(11-26-20(16)25-9-12)8-13-4-5-17(27-19(13)22)24-10-14-3-2-6-23-18(14)21/h2-7,9,11H,8,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a>100n/an/an/an/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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))
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/a7.5n/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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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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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
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