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Patent code US10202365

Compile Data Set for Download or QSAR
Found 79 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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 5.10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 7.90n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345847
PNG
(US10202365, Compound 24)
Show SMILES Cc1cc(C)n(n1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1
Show InChI InChI=1S/C26H26N10O/c1-15-10-22(31-23-11-16(2)33-34-23)32-25(30-15)20-6-7-21(27-14-20)26(37)29-13-19-5-8-24(28-12-19)36-18(4)9-17(3)35-36/h5-12,14H,13H2,1-4H3,(H,29,37)(H2,30,31,32,33,34)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345851
PNG
(US10202365, Compound 28)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(CCO)cn2)n[nH]1
Show InChI InChI=1S/C26H26N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9-11,13-15,37H,7-8,12H2,1-2H3,(H,29,38)(H2,31,32,33,34,35)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345847
PNG
(US10202365, Compound 24)
Show SMILES Cc1cc(C)n(n1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1
Show InChI InChI=1S/C26H26N10O/c1-15-10-22(31-23-11-16(2)33-34-23)32-25(30-15)20-6-7-21(27-14-20)26(37)29-13-19-5-8-24(28-12-19)36-18(4)9-17(3)35-36/h5-12,14H,13H2,1-4H3,(H,29,37)(H2,30,31,32,33,34)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345841
PNG
(US10202365, Compound 18)
Show SMILES Cc1cnn(c1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1
Show InChI InChI=1S/C25H24N10O/c1-15-10-29-35(14-15)23-7-4-18(11-27-23)12-28-25(36)20-6-5-19(13-26-20)24-30-16(2)8-21(32-24)31-22-9-17(3)33-34-22/h4-11,13-14H,12H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345856
PNG
(US10202365, Compound 33)
Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345852
PNG
(US10202365, Compound 29)
Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C26H25FN10O/c1-14-7-19(25-31-15(2)8-21(34-25)33-22-9-16(3)35-36-22)11-29-24(14)26(38)32-17(4)18-5-6-23(28-10-18)37-13-20(27)12-30-37/h5-13,17H,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t17-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345848
PNG
(US10202365, Compound 25)
Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345841
PNG
(US10202365, Compound 18)
Show SMILES Cc1cnn(c1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1
Show InChI InChI=1S/C25H24N10O/c1-15-10-29-35(14-15)23-7-4-18(11-27-23)12-28-25(36)20-6-5-19(13-26-20)24-30-16(2)8-21(32-24)31-22-9-17(3)33-34-22/h4-11,13-14H,12H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345853
PNG
(US10202365, Compound 30)
Show SMILES C[C@H](NC(=O)c1ncc(cc1F)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H22F2N10O/c1-13-6-20(33-21-7-14(2)35-36-21)34-24(31-13)17-8-19(27)23(29-10-17)25(38)32-15(3)16-4-5-22(28-9-16)37-12-18(26)11-30-37/h4-12,15H,1-3H3,(H,32,38)(H2,31,33,34,35,36)/t15-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345849
PNG
(US10202365, Compound 26)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2ccc(n2)C2CC2)n[nH]1
Show InChI InChI=1S/C27H26N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-13,15,19H,4-5,14H2,1-2H3,(H,30,38)(H2,31,32,33,34,35)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345848
PNG
(US10202365, Compound 25)
Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345834
PNG
(US10202365, Compound 11)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C22H20ClN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345852
PNG
(US10202365, Compound 29)
Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C26H25FN10O/c1-14-7-19(25-31-15(2)8-21(34-25)33-22-9-16(3)35-36-22)11-29-24(14)26(38)32-17(4)18-5-6-23(28-10-18)37-13-20(27)12-30-37/h5-13,17H,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t17-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345846
PNG
(US10202365, Compound 23)
Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1
Show InChI InChI=1/C26H26N10O/c1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36/h5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35)/t18-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345844
PNG
(US10202365, Compound 21)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cnc(cn2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C23H20FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-9,11-12H,10H2,1-2H3,(H,28,36)(H2,30,31,32,33,34)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345853
PNG
(US10202365, Compound 30)
Show SMILES C[C@H](NC(=O)c1ncc(cc1F)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H22F2N10O/c1-13-6-20(33-21-7-14(2)35-36-21)34-24(31-13)17-8-19(27)23(29-10-17)25(38)32-15(3)16-4-5-22(28-9-16)37-12-18(26)11-30-37/h4-12,15H,1-3H3,(H,32,38)(H2,31,33,34,35,36)/t15-/s2
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345844
PNG
(US10202365, Compound 21)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cnc(cn2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C23H20FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-9,11-12H,10H2,1-2H3,(H,28,36)(H2,30,31,32,33,34)
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n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345842
PNG
(US10202365, Compound 19)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2cnc(C(=O)NCc3ccc(nc3)-n3cccn3)c(C)c2)n[nH]1
Show InChI InChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345858
PNG
(US10202365, Compound 35)
Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1cnc(cn1)-n1cc(F)cn1
Show InChI InChI=1/C24H22FN11O/c1-13-6-20(32-21-7-14(2)34-35-21)33-23(30-13)16-4-5-18(26-8-16)24(37)31-15(3)19-10-28-22(11-27-19)36-12-17(25)9-29-36/h4-12,15H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t15-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345857
PNG
(US10202365, Compound 34)
Show SMILES CC[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C26H25FN10O/c1-4-20(17-6-8-24(29-11-17)37-14-19(27)13-30-37)32-26(38)21-7-5-18(12-28-21)25-31-15(2)9-22(34-25)33-23-10-16(3)35-36-23/h5-14,20H,4H2,1-3H3,(H,32,38)(H2,31,33,34,35,36)/t20-/s2
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345842
PNG
(US10202365, Compound 19)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2cnc(C(=O)NCc3ccc(nc3)-n3cccn3)c(C)c2)n[nH]1
Show InChI InChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345849
PNG
(US10202365, Compound 26)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2ccc(n2)C2CC2)n[nH]1
Show InChI InChI=1S/C27H26N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-13,15,19H,4-5,14H2,1-2H3,(H,30,38)(H2,31,32,33,34,35)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345846
PNG
(US10202365, Compound 23)
Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1
Show InChI InChI=1/C26H26N10O/c1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36/h5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35)/t18-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 29.8n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 32.4n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 46.7n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345834
PNG
(US10202365, Compound 11)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C22H20ClN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345850
PNG
(US10202365, Compound 27)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C2CC2)n[nH]1
Show InChI InChI=1S/C27H26N10O/c1-16-9-23(33-24-10-17(2)35-36-24)34-26(32-16)20-6-7-22(28-13-20)27(38)30-12-18-3-8-25(29-11-18)37-15-21(14-31-37)19-4-5-19/h3,6-11,13-15,19H,4-5,12H2,1-2H3,(H,30,38)(H2,32,33,34,35,36)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345825
PNG
(US10202365, Compound 2)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccccc2)n[nH]1
Show InChI InChI=1S/C22H21N7O/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345833
PNG
(US10202365, Compound 10)
Show SMILES COc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345835
PNG
(US10202365, Compound 12)
Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345837
PNG
(US10202365, Compound 14)
Show SMILES CC(C)Oc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C25H27N7O2/c1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345855
PNG
(US10202365, Compound 32)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(C(F)F)c(C)n2)n[nH]1
Show InChI InChI=1S/C26H24F2N10O/c1-14-8-21(33-22-9-15(2)35-36-22)34-25(32-14)18-5-6-20(29-12-18)26(39)31-11-17-4-7-23(30-10-17)38-13-19(24(27)28)16(3)37-38/h4-10,12-13,24H,11H2,1-3H3,(H,31,39)(H2,32,33,34,35,36)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345835
PNG
(US10202365, Compound 12)
Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345851
PNG
(US10202365, Compound 28)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(CCO)cn2)n[nH]1
Show InChI InChI=1S/C26H26N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9-11,13-15,37H,7-8,12H2,1-2H3,(H,29,38)(H2,31,32,33,34,35)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345825
PNG
(US10202365, Compound 2)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccccc2)n[nH]1
Show InChI InChI=1S/C22H21N7O/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345838
PNG
(US10202365, Compound 15)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(OC(F)F)cc2)n[nH]1
Show InChI InChI=1S/C23H21F2N7O2/c1-13-9-19(29-20-10-14(2)31-32-20)30-21(28-13)16-5-8-18(26-12-16)22(33)27-11-15-3-6-17(7-4-15)34-23(24)25/h3-10,12,23H,11H2,1-2H3,(H,27,33)(H2,28,29,30,31,32)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345845
PNG
(US10202365, Compound 22)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C25H21N11O/c1-15-7-21(32-22-8-16(2)34-35-22)33-24(31-15)19-4-5-20(27-13-19)25(37)29-11-17-3-6-23(28-10-17)36-14-18(9-26)12-30-36/h3-8,10,12-14H,11H2,1-2H3,(H,29,37)(H2,31,32,33,34,35)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345836
PNG
(US10202365, Compound 13)
Show SMILES CCOc1ccc(CNC(=O)c2ncc(cc2C)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C25H27N7O2/c1-5-34-20-8-6-18(7-9-20)13-27-25(33)23-15(2)10-19(14-26-23)24-28-16(3)11-21(30-24)29-22-12-17(4)31-32-22/h6-12,14H,5,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345832
PNG
(US10202365, Compound 9)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(F)cc2)n[nH]1
Show InChI InChI=1S/C22H20FN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345831
PNG
(US10202365, Compound 8)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1
Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345824
PNG
(US10202365, Compound 1)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccoc2)n[nH]1
Show InChI InChI=1S/C20H19N7O2/c1-12-7-17(24-18-8-13(2)26-27-18)25-19(23-12)15-3-4-16(21-10-15)20(28)22-9-14-5-6-29-11-14/h3-8,10-11H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345830
PNG
(US10202365, Compound 7)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cn2)n[nH]1
Show InChI InChI=1S/C22H22N8O/c1-13-4-6-17(23-10-13)12-25-22(31)18-7-5-16(11-24-18)21-26-14(2)8-19(28-21)27-20-9-15(3)29-30-20/h4-11H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345830
PNG
(US10202365, Compound 7)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cn2)n[nH]1
Show InChI InChI=1S/C22H22N8O/c1-13-4-6-17(23-10-13)12-25-22(31)18-7-5-16(11-24-18)21-26-14(2)8-19(28-21)27-20-9-15(3)29-30-20/h4-11H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345855
PNG
(US10202365, Compound 32)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(C(F)F)c(C)n2)n[nH]1
Show InChI InChI=1S/C26H24F2N10O/c1-14-8-21(33-22-9-15(2)35-36-22)34-25(32-14)18-5-6-20(29-12-18)26(39)31-11-17-4-7-23(30-10-17)38-13-19(24(27)28)16(3)37-38/h4-10,12-13,24H,11H2,1-3H3,(H,31,39)(H2,32,33,34,35,36)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345854
PNG
(US10202365, Compound 31)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C(F)F)n[nH]1
Show InChI InChI=1S/C25H22F2N10O/c1-14-7-20(33-21-8-15(2)35-36-21)34-24(32-14)17-4-5-19(28-11-17)25(38)30-10-16-3-6-22(29-9-16)37-13-18(12-31-37)23(26)27/h3-9,11-13,23H,10H2,1-2H3,(H,30,38)(H2,32,33,34,35,36)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345845
PNG
(US10202365, Compound 22)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C25H21N11O/c1-15-7-21(32-22-8-16(2)34-35-22)33-24(31-15)19-4-5-20(27-13-19)25(37)29-11-17-3-6-23(28-10-17)36-14-18(9-26)12-30-36/h3-8,10,12-14H,11H2,1-2H3,(H,29,37)(H2,31,32,33,34,35)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345827
PNG
(US10202365, Compound 4)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)N2Cc3ccccc3C2)n[nH]1
Show InChI InChI=1S/C23H21N7O/c1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30/h3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345838
PNG
(US10202365, Compound 15)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(OC(F)F)cc2)n[nH]1
Show InChI InChI=1S/C23H21F2N7O2/c1-13-9-19(29-20-10-14(2)31-32-20)30-21(28-13)16-5-8-18(26-12-16)22(33)27-11-15-3-6-17(7-4-15)34-23(24)25/h3-10,12,23H,11H2,1-2H3,(H,27,33)(H2,28,29,30,31,32)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345828
PNG
(US10202365, Compound 5)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cc2)n[nH]1
Show InChI InChI=1S/C23H23N7O/c1-14-4-6-17(7-5-14)12-25-23(31)19-9-8-18(13-24-19)22-26-15(2)10-20(28-22)27-21-11-16(3)29-30-21/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345829
PNG
(US10202365, Compound 6)
Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccccc1
Show InChI InChI=1/C23H23N7O/c1-14-11-20(27-21-12-15(2)29-30-21)28-22(25-14)18-9-10-19(24-13-18)23(31)26-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,26,31)(H2,25,27,28,29,30)/t16-/s2
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345828
PNG
(US10202365, Compound 5)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cc2)n[nH]1
Show InChI InChI=1S/C23H23N7O/c1-14-4-6-17(7-5-14)12-25-23(31)19-9-8-18(13-24-19)22-26-15(2)10-20(28-22)27-21-11-16(3)29-30-21/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345837
PNG
(US10202365, Compound 14)
Show SMILES CC(C)Oc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C25H27N7O2/c1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345824
PNG
(US10202365, Compound 1)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccoc2)n[nH]1
Show InChI InChI=1S/C20H19N7O2/c1-12-7-17(24-18-8-13(2)26-27-18)25-19(23-12)15-3-4-16(21-10-15)20(28)22-9-14-5-6-29-11-14/h3-8,10-11H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345827
PNG
(US10202365, Compound 4)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)N2Cc3ccccc3C2)n[nH]1
Show InChI InChI=1S/C23H21N7O/c1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30/h3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345833
PNG
(US10202365, Compound 10)
Show SMILES COc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345854
PNG
(US10202365, Compound 31)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C(F)F)n[nH]1
Show InChI InChI=1S/C25H22F2N10O/c1-14-7-20(33-21-8-15(2)35-36-21)34-24(32-14)17-4-5-19(28-11-17)25(38)30-10-16-3-6-22(29-9-16)37-13-18(12-31-37)23(26)27/h3-9,11-13,23H,10H2,1-2H3,(H,30,38)(H2,32,33,34,35,36)
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n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345832
PNG
(US10202365, Compound 9)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(F)cc2)n[nH]1
Show InChI InChI=1S/C22H20FN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 95.2n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345829
PNG
(US10202365, Compound 6)
Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccccc1
Show InChI InChI=1/C23H23N7O/c1-14-11-20(27-21-12-15(2)29-30-21)28-22(25-14)18-9-10-19(24-13-18)23(31)26-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,26,31)(H2,25,27,28,29,30)/t16-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345840
PNG
(US10202365, Compound 17)
Show SMILES CCOc1ccc(cc1)[C@H](C)NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1
Show InChI InChI=1/C26H29N7O2/c1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23/h7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33)/t18-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345843
PNG
(US10202365, Compound 20)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(OC(F)(F)F)cc2)n[nH]1
Show InChI InChI=1S/C23H20F3N7O2/c1-13-9-19(30-20-10-14(2)32-33-20)31-21(29-13)16-5-8-18(27-12-16)22(34)28-11-15-3-6-17(7-4-15)35-23(24,25)26/h3-10,12H,11H2,1-2H3,(H,28,34)(H2,29,30,31,32,33)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345839
PNG
(US10202365, Compound 16)
Show SMILES CCOc1ccc(cc1)[C@@H](C)NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1
Show InChI InChI=1/C26H29N7O2/c1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23/h7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33)/t18-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345826
PNG
(US10202365, Compound 3)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cncs2)n[nH]1
Show InChI InChI=1S/C19H18N8OS/c1-11-5-16(24-17-6-12(2)26-27-17)25-18(23-11)13-3-4-15(21-7-13)19(28)22-9-14-8-20-10-29-14/h3-8,10H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345831
PNG
(US10202365, Compound 8)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1
Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345856
PNG
(US10202365, Compound 33)
Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/s2
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BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345850
PNG
(US10202365, Compound 27)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C2CC2)n[nH]1
Show InChI InChI=1S/C27H26N10O/c1-16-9-23(33-24-10-17(2)35-36-24)34-26(32-16)20-6-7-22(28-13-20)27(38)30-12-18-3-8-25(29-11-18)37-15-21(14-31-37)19-4-5-19/h3,6-11,13-15,19H,4-5,12H2,1-2H3,(H,30,38)(H2,32,33,34,35,36)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345826
PNG
(US10202365, Compound 3)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cncs2)n[nH]1
Show InChI InChI=1S/C19H18N8OS/c1-11-5-16(24-17-6-12(2)26-27-17)25-18(23-11)13-3-4-15(21-7-13)19(28)22-9-14-8-20-10-29-14/h3-8,10H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)
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US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM345843
PNG
(US10202365, Compound 20)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(OC(F)(F)F)cc2)n[nH]1
Show InChI InChI=1S/C23H20F3N7O2/c1-13-9-19(30-20-10-14(2)32-33-20)31-21(29-13)16-5-8-18(27-12-16)22(34)28-11-15-3-6-17(7-4-15)35-23(24,25)26/h3-10,12H,11H2,1-2H3,(H,28,34)(H2,29,30,31,32,33)
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US Patent
n/an/a>100n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345857
PNG
(US10202365, Compound 34)
Show SMILES CC[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1/C26H25FN10O/c1-4-20(17-6-8-24(29-11-17)37-14-19(27)13-30-37)32-26(38)21-7-5-18(12-28-21)25-31-15(2)9-22(34-25)33-23-10-16(3)35-36-23/h5-14,20H,4H2,1-3H3,(H,32,38)(H2,31,33,34,35,36)/t20-/s2
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n/an/a>100n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM345858
PNG
(US10202365, Compound 35)
Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1cnc(cn1)-n1cc(F)cn1
Show InChI InChI=1/C24H22FN11O/c1-13-6-20(32-21-7-14(2)34-35-21)33-23(30-13)16-4-5-18(26-8-16)24(37)31-15(3)19-10-28-22(11-27-19)36-12-17(25)9-29-36/h4-12,15H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t15-/s2
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n/an/a>100n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 219n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 585n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 607n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 902n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%