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USPatent US10227329

Compile Data Set for Download or QSAR

Found 268 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(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))		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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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))		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 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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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))		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))		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))		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))		BDBM367724
PNG
(US10227329, Compound 136)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(O)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H28N10O2/c1-16-12-19(29-20-13-17(2)31-32-20)30-23(28-16)33-10-6-24(36,7-11-33)22(35)26-15-18-4-5-21(25-14-18)34-9-3-8-27-34/h3-5,8-9,12-14,36H,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))		BDBM367725
PNG
(US10227329, Compound 137)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(C)n1
Show InChI InChI=1S/C24H28N10O2/c1-15-7-8-34(32-15)21-6-5-18(11-25-21)12-26-22(35)24(36-4)13-33(14-24)23-27-16(2)9-19(29-23)28-20-10-17(3)30-31-20/h5-11H,12-14H2,1-4H3,(H,26,35)(H2,27,28,29,30,31)
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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))		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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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))		BDBM367729
PNG
(US10227329, Compound 141)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(F)(CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H27FN10O/c1-16-12-19(30-20-13-17(2)32-33-20)31-23(29-16)34-10-6-24(25,7-11-34)22(36)27-15-18-4-5-21(26-14-18)35-9-3-8-28-35/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(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 [V804L]


(Homo sapiens (Human))		BDBM367730
PNG
(US10227329, Compound 142)
Show SMILES C[C@H](N(C)C(=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))		BDBM367733
PNG
(US10227329, Compound 145)
Show SMILES C[C@H](NC(=O)C1(O)CN(C1)c1cc(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 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))		BDBM367734
PNG
(US10227329, Compound 146)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1F)C(=O)NCc1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C24H26FN9O2/c1-15-9-18(29-19-10-16(2)31-32-19)30-22(21(15)25)33-13-24(14-33,36-3)23(35)27-12-17-5-6-20(26-11-17)34-8-4-7-28-34/h4-11H,12-14H2,1-3H3,(H,27,35)(H2,29,30,31,32)
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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


(Homo sapiens (Human))		BDBM367741
PNG
(US10227329, Compound 153)
Show SMILES C[C@H](NC(=O)C1(F)CN(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 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))		BDBM367747
PNG
(US10227329, Compound 159)
Show SMILES C[C@H](NC(=O)C1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C#N)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 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))		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 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


(Homo sapiens (Human))		BDBM367773
PNG
(US10227329, Compound 185)
Show SMILES COC1(CCN(CC1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N(C)Cc1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C26H32N10O2/c1-18-14-21(30-22-15-19(2)32-33-22)31-25(29-18)35-12-8-26(38-4,9-13-35)24(37)34(3)17-20-6-7-23(27-16-20)36-11-5-10-28-36/h5-7,10-11,14-16H,8-9,12-13,17H2,1-4H3,(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


(Homo sapiens (Human))		BDBM367779
PNG
(US10227329, Compound 191)
Show SMILES C[C@H](NC(=O)C1(C)CCN(CC1)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 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))		BDBM367789
PNG
(US10227329, Compound 201)
Show SMILES COC1(CN(C1)c1cc(cc(Nc2cc(C)[nH]n2)n1)C(F)F)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


(Homo sapiens (Human))		BDBM367795
PNG
(US10227329, Compound 207)
Show SMILES COC1(CCN(CC1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1C#N)C(=O)NCc1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C27H30N10O2/c1-18-13-22(32-23-14-19(2)34-35-23)33-25(21(18)15-28)36-11-7-27(39-3,8-12-36)26(38)30-17-20-5-6-24(29-16-20)37-10-4-9-31-37/h4-6,9-10,13-14,16H,7-8,11-12,17H2,1-3H3,(H,30,38)(H2,32,33,34,35)
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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))		BDBM367800
PNG
(US10227329, Compound 212)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1C#N)C(=O)N[C@@H](C)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))		BDBM367799
PNG
(US10227329, Compound 211 | US10227329, Compound 21...)
Show SMILES COC1(CCN(CC1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1nc(C)cc1C
Show InChI InChI=1S/C27H34N10O2/c1-17-13-22(31-23-14-18(2)33-34-23)32-26(30-17)36-10-8-27(39-5,9-11-36)25(38)29-16-21-6-7-24(28-15-21)37-20(4)12-19(3)35-37/h6-7,12-15H,8-11,16H2,1-5H3,(H,29,38)(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


(Homo sapiens (Human))		BDBM367804
PNG
(US10227329, Compound 216)
Show SMILES COC1(CCN(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)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 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))		BDBM367811
PNG
(US10227329, Compound 223)
Show SMILES COC1(CN(C1)c1cc(cc(Nc2cc(C)[nH]n2)n1)C(F)F)C(=O)N[C@@H](C)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 [V804L]


(Homo sapiens (Human))		BDBM367816
PNG
(US10227329, Compound 228)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(CC2)(OCC(F)(F)F)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C26H29F3N10O2/c1-17-12-20(34-21-13-18(2)36-37-21)35-24(33-17)38-10-6-25(7-11-38,41-16-26(27,28)29)23(40)31-15-19-4-5-22(30-14-19)39-9-3-8-32-39/h3-5,8-9,12-14H,6-7,10-11,15-16H2,1-2H3,(H,31,40)(H2,33,34,35,36,37)
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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))		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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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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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


(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))		BDBM367726
PNG
(US10227329, Compound 138)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1cc(C)cn1
Show InChI InChI=1S/C24H28N10O2/c1-15-9-27-34(12-15)21-6-5-18(10-25-21)11-26-22(35)24(36-4)13-33(14-24)23-28-16(2)7-19(30-23)29-20-8-17(3)31-32-20/h5-10,12H,11,13-14H2,1-4H3,(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


(Homo sapiens (Human))		BDBM367730
PNG
(US10227329, Compound 142)
Show SMILES C[C@H](N(C)C(=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 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))		BDBM367740
PNG
(US10227329, Compound 152)
Show SMILES C[C@H](NC(=O)C1CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1F)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))		BDBM367756
PNG
(US10227329, Compound 168)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1F)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))		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 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))		BDBM367772
PNG
(US10227329, Compound 184)
Show SMILES COC1(CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1C#N)C(=O)NCc1ccc(nc1)-n1cc(F)cn1
Show InChI InChI=1S/C25H25FN10O2/c1-15-6-20(31-21-7-16(2)33-34-21)32-23(19(15)8-27)35-13-25(14-35,38-3)24(37)29-10-17-4-5-22(28-9-17)36-12-18(26)11-30-36/h4-7,9,11-12H,10,13-14H2,1-3H3,(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


(Homo sapiens (Human))		BDBM367777
PNG
(US10227329, Compound 189)
Show SMILES C[C@H](NC(=O)C1(F)CN(C1)c1nc(Nc2cc(C)[nH]n2)cc(C)c1C#N)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 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))		BDBM367779
PNG
(US10227329, Compound 191)
Show SMILES C[C@H](NC(=O)C1(C)CCN(CC1)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 [V804L]


(Homo sapiens (Human))		BDBM367792
PNG
(US10227329, Compound 204)
Show SMILES COC1(CN(C1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1ccc(n1)C(F)F
Show InChI InChI=1S/C24H26F2N10O2/c1-14-8-18(30-19-9-15(2)32-33-19)31-23(29-14)35-12-24(13-35,38-3)22(37)28-11-16-4-5-20(27-10-16)36-7-6-17(34-36)21(25)26/h4-10,21H,11-13H2,1-3H3,(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 [V804L]


(Homo sapiens (Human))		BDBM367794
PNG
(US10227329, Compound 206)
Show SMILES C[C@H](NC(=O)C1(CC#N)CCN(CC1)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 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))		BDBM367797
PNG
(US10227329, Compound 209)
Show SMILES CCC1(CCN(CC1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)NCc1ccc(nc1)-n1nc(C)cc1C
Show InChI InChI=1S/C28H36N10O/c1-6-28(26(39)30-17-22-7-8-25(29-16-22)38-21(5)13-20(4)36-38)9-11-37(12-10-28)27-31-18(2)14-23(33-27)32-24-15-19(3)34-35-24/h7-8,13-16H,6,9-12,17H2,1-5H3,(H,30,39)(H2,31,32,33,34,35)
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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))		BDBM367798
PNG
(US10227329, Compound 210)
Show SMILES C[C@H](NC(=O)C1(F)CN(C1)c1cc(cc(Nc2cc(C)[nH]n2)n1)C(F)F)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 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))		BDBM367802
PNG
(US10227329, Compound 214)
Show SMILES COC1(CCN(CC1)c1nc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N(C)[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 [V804L]


(Homo sapiens (Human))		BDBM367812
PNG
(US10227329, Compound 224)
Show SMILES C[C@H](NC(=O)C1(CC#N)CCN(CC1)c1cc(C)nc(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))		BDBM367816
PNG
(US10227329, Compound 228)
Show SMILES Cc1cc(Nc2cc(C)nc(n2)N2CCC(CC2)(OCC(F)(F)F)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C26H29F3N10O2/c1-17-12-20(34-21-13-18(2)36-37-21)35-24(33-17)38-10-6-25(7-11-38,41-16-26(27,28)29)23(40)31-15-19-4-5-22(30-14-19)39-9-3-8-32-39/h3-5,8-9,12-14H,6-7,10-11,15-16H2,1-2H3,(H,31,40)(H2,33,34,35,36,37)
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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))		BDBM367697
PNG
(US10227329, Compound 107)
Show SMILES Cc1cc(Nc2cc(C)cc(n2)N2CC(C)(C2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1
Show InChI InChI=1S/C24H27N9O/c1-16-9-19(28-20-11-17(2)30-31-20)29-22(10-16)32-14-24(3,15-32)23(34)26-13-18-5-6-21(25-12-18)33-8-4-7-27-33/h4-12H,13-15H2,1-3H3,(H,26,34)(H2,28,29,30,31)
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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
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* indicates data uncertainty>20%