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PubMed code 27814560

Compile data set for download or QSAR
Found 17 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))
BDBM50136224
PNG
(CHEMBL3752395)
Show SMILES CC(C)c1cc(no1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C14H18N6O/c1-7(2)10-5-9(19-21-10)12-11-13(15)16-6-17-14(11)20(18-12)8(3)4/h5-8H,1-4H3,(H2,15,16,17)
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n/an/a 41n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233839
PNG
(CHEMBL4090213)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c(C(N)=O)c1N
Show InChI InChI=1S/C13H17N5O2/c1-6(2)18-12(14)10(13(15)19)11(16-18)8-5-9(20-17-8)7-3-4-7/h5-7H,3-4,14H2,1-2H3,(H2,15,19)
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n/an/a 44n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136294
PNG
(CHEMBL3752879)
Show SMILES Nc1ncnc2[nH]nc(-c3cc(on3)C3CC3)c12
Show InChI InChI=1S/C11H10N6O/c12-10-8-9(15-16-11(8)14-4-13-10)6-3-7(18-17-6)5-1-2-5/h3-5H,1-2H2,(H3,12,13,14,15,16)
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n/an/a 52n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233843
PNG
(CHEMBL4094670)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2cccs2)c(C(N)=O)c1N
Show InChI InChI=1S/C14H15N5O2S/c1-7(2)19-13(15)11(14(16)20)12(17-19)8-6-9(21-18-8)10-4-3-5-22-10/h3-7H,15H2,1-2H3,(H2,16,20)
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n/an/a 78n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233848
PNG
(CHEMBL4095617)
Show SMILES CC(C)n1nc(-c2coc(n2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-13-10(12(15)16-6-17-13)11(19-20)9-5-21-14(18-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 139n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233842
PNG
(CHEMBL4060622)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccsc2)c(C(N)=O)c1N
Show InChI InChI=1S/C14H15N5O2S/c1-7(2)19-13(15)11(14(16)20)12(17-19)9-5-10(21-18-9)8-3-4-22-6-8/h3-7H,15H2,1-2H3,(H2,16,20)
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n/an/a 162n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136290
PNG
(CHEMBL3752025)
Show SMILES CC(C)n1nc(-c2ccon2)c2c(N)ncnc12
Show InChI InChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)13-5-14-11)9(15-17)7-3-4-18-16-7/h3-6H,1-2H3,(H2,12,13,14)
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n/an/a 213n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233847
PNG
(CHEMBL4068248)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccc2)c(C(N)=O)c1N
Show InChI InChI=1S/C16H17N5O2/c1-9(2)21-15(17)13(16(18)22)14(19-21)11-8-12(23-20-11)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3,(H2,18,22)
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n/an/a 236n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233845
PNG
(CHEMBL4065543)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccc(F)cc2)c(C(N)=O)c1N
Show InChI InChI=1S/C16H16FN5O2/c1-8(2)22-15(18)13(16(19)23)14(20-22)11-7-12(24-21-11)9-3-5-10(17)6-4-9/h3-8H,18H2,1-2H3,(H2,19,23)
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n/an/a 416n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233851
PNG
(CHEMBL4082500)
Show SMILES CCc1cc(no1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C12H17N5O2/c1-4-7-5-8(16-19-7)10-9(12(14)18)11(13)17(15-10)6(2)3/h5-6H,4,13H2,1-3H3,(H2,14,18)
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n/an/a 631n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233841
PNG
(CHEMBL4097921)
Show SMILES CC(C)c1cc(no1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C13H19N5O2/c1-6(2)9-5-8(17-20-9)11-10(13(15)19)12(14)18(16-11)7(3)4/h5-7H,14H2,1-4H3,(H2,15,19)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233850
PNG
(CHEMBL4103365)
Show SMILES CC(C)n1nc(-c2cc(Cc3ccccc3)on2)c(C(N)=O)c1N
Show InChI InChI=1S/C17H19N5O2/c1-10(2)22-16(18)14(17(19)23)15(20-22)13-9-12(24-21-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8,18H2,1-2H3,(H2,19,23)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233846
PNG
(CHEMBL4079119)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccc(C)cc2)c(C(N)=O)c1N
Show InChI InChI=1S/C17H19N5O2/c1-9(2)22-16(18)14(17(19)23)15(20-22)12-8-13(24-21-12)11-6-4-10(3)5-7-11/h4-9H,18H2,1-3H3,(H2,19,23)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233840
PNG
(CHEMBL4079894)
Show SMILES CC(C)n1nc(-c2cc(on2)C(C)(C)C)c(C(N)=O)c1N
Show InChI InChI=1S/C14H21N5O2/c1-7(2)19-12(15)10(13(16)20)11(17-19)8-6-9(21-18-8)14(3,4)5/h6-7H,15H2,1-5H3,(H2,16,20)
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n/an/a 2.22E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233852
PNG
(CHEMBL4069150)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CCCCC2)c(C(N)=O)c1N
Show InChI InChI=1S/C16H23N5O2/c1-9(2)21-15(17)13(16(18)22)14(19-21)11-8-12(23-20-11)10-6-4-3-5-7-10/h8-10H,3-7,17H2,1-2H3,(H2,18,22)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233844
PNG
(CHEMBL4086972)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2cccnc2)c(C(N)=O)c1N
Show InChI InChI=1S/C15H16N6O2/c1-8(2)21-14(16)12(15(17)22)13(19-21)10-6-11(23-20-10)9-4-3-5-18-7-9/h3-8H,16H2,1-2H3,(H2,17,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50233849
PNG
(CHEMBL4074164)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccn2)c(C(N)=O)c1N
Show InChI InChI=1S/C15H16N6O2/c1-8(2)21-14(16)12(15(17)22)13(19-21)10-7-11(23-20-10)9-5-3-4-6-18-9/h3-8H,16H2,1-2H3,(H2,17,22)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay


Eur J Med Chem 125: 1145-1155 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.050
BindingDB Entry DOI: 10.7270/Q28K7CC3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%