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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
Serine/threonine-protein kinase 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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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)
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
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))
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/a7.5n/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))
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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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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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)
PDB

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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)
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
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