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Compile Data Set for Download or QSAR

Found 268 hits Enz. Inhib. hit(s) with all data for entry = 2479   
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(Nc4ccc(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 1.20n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
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



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
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



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367700
PNG
(US10227329, Compound 112)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C22H23FN10O/c1-14-8-17(28-18-9-15(2)30-31-18)29-21(27-14)32-12-22(23,13-32)20(34)25-11-16-4-5-19(24-10-16)33-7-3-6-26-33/h3-10H,11-13H2,1-2H3,(H,25,34)(H2,27,28,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367701
PNG
(US10227329, Compound 113)
Show SMILES CCOc1ccc(CNC(=O)C2(O)CCN(CC2)c2cc(C)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C25H32N6O3/c1-4-34-20-7-5-19(6-8-20)16-26-24(32)25(33)9-11-31(12-10-25)23-14-17(2)13-21(28-23)27-22-15-18(3)29-30-22/h5-8,13-15,33H,4,9-12,16H2,1-3H3,(H,26,32)(H2,27,28,29,30)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367761
PNG
(US10227329, Compound 173)
Show SMILES COC1(CN(C1)c1cc(cc(Nc2cc(C)[nH]n2)n1)C(F)F)C(=O)NCc1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C24H25F2N9O2/c1-15-8-19(33-32-15)30-18-9-17(22(25)26)10-21(31-18)34-13-24(14-34,37-2)23(36)28-12-16-4-5-20(27-11-16)35-7-3-6-29-35/h3-11,22H,12-14H2,1-2H3,(H,28,36)(H2,30,31,32,33)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367705
PNG
(US10227329, Compound 117)
Show SMILES C[C@H](NC(=O)C1(C)CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367705
PNG
(US10227329, Compound 117)
Show SMILES C[C@H](NC(=O)C1(C)CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367706
PNG
(US10227329, Compound 118)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H28N10O/c1-16-12-20(29-21-13-17(2)31-32-21)30-24(28-16)33-10-6-19(7-11-33)23(35)26-15-18-4-5-22(25-14-18)34-9-3-8-27-34/h3-5,8-9,12-14,19H,6-7,10-11,15H2,1-2H3,(H,26,35)(H2,28,29,30,31,32)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367706
PNG
(US10227329, Compound 118)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H28N10O/c1-16-12-20(29-21-13-17(2)31-32-21)30-24(28-16)33-10-6-19(7-11-33)23(35)26-15-18-4-5-22(25-14-18)34-9-3-8-27-34/h3-5,8-9,12-14,19H,6-7,10-11,15H2,1-2H3,(H,26,35)(H2,28,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367707
PNG
(US10227329, Compound 119 | US10227329, Compound 14...)
Show SMILES C[C@H](NC(=O)C1CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367707
PNG
(US10227329, Compound 119 | US10227329, Compound 14...)
Show SMILES C[C@H](NC(=O)C1CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367708
PNG
(US10227329, Compound 120)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC(C)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C24H26FN9O/c1-15-6-19(29-20-8-16(2)31-32-20)30-22(7-15)33-13-24(3,14-33)23(35)27-10-17-4-5-21(26-9-17)34-12-18(25)11-28-34/h4-9,11-12H,10,13-14H2,1-3H3,(H,27,35)(H2,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367708
PNG
(US10227329, Compound 120)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC(C)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C24H26FN9O/c1-15-6-19(29-20-8-16(2)31-32-20)30-22(7-15)33-13-24(3,14-33)23(35)27-10-17-4-5-21(26-9-17)34-12-18(25)11-28-34/h4-9,11-12H,10,13-14H2,1-3H3,(H,27,35)(H2,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367709
PNG
(US10227329, Compound 121)
Show SMILES C[C@H](NC(=O)C1CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367762
PNG
(US10227329, Compound 174)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1F)C(=O)NCc1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1S/C24H25F2N9O2/c1-14-6-18(30-19-7-15(2)32-33-19)31-22(21(14)26)34-12-24(13-34,37-3)23(36)28-9-16-4-5-20(27-8-16)35-11-17(25)10-29-35/h4-8,10-11H,9,12-13H2,1-3H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367709
PNG
(US10227329, Compound 121)
Show SMILES C[C@H](NC(=O)C1CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367710
PNG
(US10227329, Compound 122)
Show SMILES C[C@H](NC(=O)C1(F)CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367710
PNG
(US10227329, Compound 122)
Show SMILES C[C@H](NC(=O)C1(F)CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367712
PNG
(US10227329, Compound 124)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C22H22F2N10O/c1-13-5-17(29-18-6-14(2)31-32-18)30-21(28-13)33-11-22(24,12-33)20(35)26-8-15-3-4-19(25-7-15)34-10-16(23)9-27-34/h3-7,9-10H,8,11-12H2,1-2H3,(H,26,35)(H2,28,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367712
PNG
(US10227329, Compound 124)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)n[nH]1
Show InChI InChI=1S/C22H22F2N10O/c1-13-5-17(29-18-6-14(2)31-32-18)30-21(28-13)33-11-22(24,12-33)20(35)26-8-15-3-4-19(25-7-15)34-10-16(23)9-27-34/h3-7,9-10H,8,11-12H2,1-2H3,(H,26,35)(H2,28,29,30,31,32)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367762
PNG
(US10227329, Compound 174)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1F)C(=O)NCc1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1S/C24H25F2N9O2/c1-14-6-18(30-19-7-15(2)32-33-19)31-22(21(14)26)34-12-24(13-34,37-3)23(36)28-9-16-4-5-20(27-8-16)35-11-17(25)10-29-35/h4-8,10-11H,9,12-13H2,1-3H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367763
PNG
(US10227329, Compound 175)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1C#N)C(=O)N[C@@H](C)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367714
PNG
(US10227329, Compound 126)
Show SMILES C[C@H](NC(=O)C1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C#N)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367714
PNG
(US10227329, Compound 126)
Show SMILES C[C@H](NC(=O)C1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C#N)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367715
PNG
(US10227329, Compound 127)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CCC(C)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C26H31N9O/c1-18-13-21(30-22-15-19(2)32-33-22)31-24(14-18)34-11-7-26(3,8-12-34)25(36)28-17-20-5-6-23(27-16-20)35-10-4-9-29-35/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367715
PNG
(US10227329, Compound 127)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CCC(C)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C26H31N9O/c1-18-13-21(30-22-15-19(2)32-33-22)31-24(14-18)34-11-7-26(3,8-12-34)25(36)28-17-20-5-6-23(27-16-20)35-10-4-9-29-35/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367716
PNG
(US10227329, Compound 128)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H23FN10O/c1-15-8-19(30-20-9-16(2)32-33-20)31-22(18(15)10-26)34-13-24(25,14-34)23(36)28-12-17-4-5-21(27-11-17)35-7-3-6-29-35/h3-9,11H,12-14H2,1-2H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367716
PNG
(US10227329, Compound 128)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H23FN10O/c1-15-8-19(30-20-9-16(2)32-33-20)31-22(18(15)10-26)34-13-24(25,14-34)23(36)28-12-17-4-5-21(27-11-17)35-7-3-6-29-35/h3-9,11H,12-14H2,1-2H3,(H,28,36)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367717
PNG
(US10227329, Compound 129)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(C)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C25H30N10O/c1-17-13-20(30-21-14-18(2)32-33-21)31-24(29-17)34-11-7-25(3,8-12-34)23(36)27-16-19-5-6-22(26-15-19)35-10-4-9-28-35/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H,27,36)(H2,29,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367717
PNG
(US10227329, Compound 129)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(C)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C25H30N10O/c1-17-13-20(30-21-14-18(2)32-33-21)31-24(29-17)34-11-7-25(3,8-12-34)23(36)27-16-19-5-6-22(26-15-19)35-10-4-9-28-35/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H,27,36)(H2,29,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367718
PNG
(US10227329, Compound 130)
Show SMILES CCC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367765
PNG
(US10227329, Compound 177)
Show SMILES COC1(CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(n1)C1CC1
Show InChI InChI=1S/C27H31N9O2/c1-17-10-22(30-23-12-18(2)32-33-23)31-25(11-17)35-15-27(16-35,38-3)26(37)29-14-19-4-7-24(28-13-19)36-9-8-21(34-36)20-5-6-20/h4,7-13,20H,5-6,14-16H2,1-3H3,(H,29,37)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367765
PNG
(US10227329, Compound 177)
Show SMILES COC1(CN(C1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(n1)C1CC1
Show InChI InChI=1S/C27H31N9O2/c1-17-10-22(30-23-12-18(2)32-33-23)31-25(11-17)35-15-27(16-35,38-3)26(37)29-14-19-4-7-24(28-13-19)36-9-8-21(34-36)20-5-6-20/h4,7-13,20H,5-6,14-16H2,1-3H3,(H,29,37)(H2,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367766
PNG
(US10227329, Compound 178)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1cc(cn1)C1CC1
Show InChI InChI=1S/C26H30N10O2/c1-16-8-21(31-22-9-17(2)33-34-22)32-25(30-16)35-14-26(15-35,38-3)24(37)28-11-18-4-7-23(27-10-18)36-13-20(12-29-36)19-5-6-19/h4,7-10,12-13,19H,5-6,11,14-15H2,1-3H3,(H,28,37)(H2,30,31,32,33,34)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367766
PNG
(US10227329, Compound 178)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1cc(cn1)C1CC1
Show InChI InChI=1S/C26H30N10O2/c1-16-8-21(31-22-9-17(2)33-34-22)32-25(30-16)35-14-26(15-35,38-3)24(37)28-11-18-4-7-23(27-10-18)36-13-20(12-29-36)19-5-6-19/h4,7-10,12-13,19H,5-6,11,14-15H2,1-3H3,(H,28,37)(H2,30,31,32,33,34)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367767
PNG
(US10227329, Compound 179)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(n1)C1CC1
Show InChI InChI=1S/C26H30N10O2/c1-16-10-21(30-22-11-17(2)32-33-22)31-25(29-16)35-14-26(15-35,38-3)24(37)28-13-18-4-7-23(27-12-18)36-9-8-20(34-36)19-5-6-19/h4,7-12,19H,5-6,13-15H2,1-3H3,(H,28,37)(H2,29,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367767
PNG
(US10227329, Compound 179)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(n1)C1CC1
Show InChI InChI=1S/C26H30N10O2/c1-16-10-21(30-22-11-17(2)32-33-22)31-25(29-16)35-14-26(15-35,38-3)24(37)28-13-18-4-7-23(27-12-18)36-9-8-20(34-36)19-5-6-19/h4,7-12,19H,5-6,13-15H2,1-3H3,(H,28,37)(H2,29,30,31,32,33)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367768
PNG
(US10227329, Compound 180)
Show SMILES Cc1cc(Nc2cc(cc(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)C(F)F)n[nH]1
Show InChI InChI=1S/C23H21F4N9O/c1-13-4-18(34-33-13)31-17-5-15(21(25)26)6-20(32-17)35-11-23(27,12-35)22(37)29-8-14-2-3-19(28-7-14)36-10-16(24)9-30-36/h2-7,9-10,21H,8,11-12H2,1H3,(H,29,37)(H2,31,32,33,34)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367768
PNG
(US10227329, Compound 180)
Show SMILES Cc1cc(Nc2cc(cc(n2)N2CC(F)(C2)C(=O)NCc2ccc(nc2)-n2cc(F)cn2)C(F)F)n[nH]1
Show InChI InChI=1S/C23H21F4N9O/c1-13-4-18(34-33-13)31-17-5-15(21(25)26)6-20(32-17)35-11-23(27,12-35)22(37)29-8-14-2-3-19(28-7-14)36-10-16(24)9-30-36/h2-7,9-10,21H,8,11-12H2,1H3,(H,29,37)(H2,31,32,33,34)
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367769
PNG
(US10227329, Compound 181)
Show SMILES COC1(CCN(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cccn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367769
PNG
(US10227329, Compound 181)
Show SMILES COC1(CCN(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cccn1 |r|
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Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367718
PNG
(US10227329, Compound 130)
Show SMILES CCC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cccn1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367719
PNG
(US10227329, Compound 131)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CCC(O)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C25H29N9O2/c1-17-12-20(29-21-14-18(2)31-32-21)30-23(13-17)33-10-6-25(36,7-11-33)24(35)27-16-19-4-5-22(26-15-19)34-9-3-8-28-34/h3-5,8-9,12-15,36H,6-7,10-11,16H2,1-2H3,(H,27,35)(H2,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367719
PNG
(US10227329, Compound 131)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CCC(O)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C25H29N9O2/c1-17-12-20(29-21-14-18(2)31-32-21)30-23(13-17)33-10-6-25(36,7-11-33)24(35)27-16-19-4-5-22(26-15-19)34-9-3-8-28-34/h3-5,8-9,12-15,36H,6-7,10-11,16H2,1-2H3,(H,27,35)(H2,29,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367720
PNG
(US10227329, Compound 132)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC[C@@H]([C@@H](O)C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367721
PNG
(US10227329, Compound 133)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC[C@H]([C@H](O)C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367721
PNG
(US10227329, Compound 133)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC[C@H]([C@H](O)C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r|
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM367722
PNG
(US10227329, Compound 134)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC[C@H]([C@@H](O)C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r|
PDB
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UniProtKB/SwissProt

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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]


(Homo sapiens (Human))
BDBM367722
PNG
(US10227329, Compound 134)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC[C@H]([C@@H](O)C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
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