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USPatent US9096593

Compile Data Set for Download or QSAR

Found 403 hits of Enzyme Inhibition Constant Data   
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
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))		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
Receptor-type tyrosine-protein kinase 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
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)
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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))		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))		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))		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
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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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
Receptor-type tyrosine-protein kinase 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
Macrophage colony-stimulating factor 1 receptor


(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)
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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))		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/a7.530



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))		BDBM174908
PNG
(US9096593, P-2008)
Show SMILES Fc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1F
Show InChI InChI=1S/C19H14ClF2N5/c20-14-5-15-13(9-23-18(15)24-10-14)3-12-7-26-19(27-8-12)25-6-11-1-2-16(21)17(22)4-11/h1-2,4-5,7-10H,3,6H2,(H,23,24)(H,25,26,27)
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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))		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/a7.530



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))		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/a7.530



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))		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/a7.530



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		3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(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/a7.530



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))		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/a7.530



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))		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/a7.530



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))		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/a7.530



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))		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))		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))		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/a7.530



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))		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)
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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))		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))		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
Receptor-type tyrosine-protein kinase 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
Macrophage colony-stimulating factor 1 receptor


(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/a7.530



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))		BDBM174910
PNG
(US9096593, P-2013)
Show SMILES Cc1cccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1
Show InChI InChI=1S/C20H18ClN5/c1-13-3-2-4-14(5-13)8-24-20-25-9-15(10-26-20)6-16-11-22-19-18(16)7-17(21)12-23-19/h2-5,7,9-12H,6,8H2,1H3,(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))		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/a7.530



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))		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/a7.530



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))		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/a7.530



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
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))		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))		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))		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))		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))		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))		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))		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
Receptor-type tyrosine-protein kinase 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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM174907
PNG
(US9096593, P-1496)
Show SMILES COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c(OC)n1
Show InChI InChI=1S/C21H20ClN5O2/c1-28-19-6-4-14(21(27-19)29-2)10-24-18-5-3-13(9-23-18)7-15-11-25-20-17(15)8-16(22)12-26-20/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,23,24)(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))		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/a7.530



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))		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/a7.530



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))		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/a7.530



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)
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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))		BDBM174908
PNG
(US9096593, P-2008)
Show SMILES Fc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1F
Show InChI InChI=1S/C19H14ClF2N5/c20-14-5-15-13(9-23-18(15)24-10-14)3-12-7-26-19(27-8-12)25-6-11-1-2-16(21)17(22)4-11/h1-2,4-5,7-10H,3,6H2,(H,23,24)(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
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* indicates data uncertainty>20%