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PubMed code 26652860

Compile data set for download or QSAR
Found 68 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))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 1.40n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 2n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret S891A mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134785
PNG
(CHEMBL3753512)
Show SMILES Nc1ncnc2n(nc(-c3cc(on3)C3CC3)c12)C1CCCCC1
Show InChI InChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20)
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n/an/a 2n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret Y791F mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 5n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret S891A mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134786
PNG
(CHEMBL3751904)
Show SMILES Nc1ncnc2n(nc(-c3cc(on3)C3CC3)c12)C1CCOCC1
Show InChI InChI=1S/C16H18N6O2/c17-15-13-14(11-7-12(24-21-11)9-1-2-9)20-22(16(13)19-8-18-15)10-3-5-23-6-4-10/h7-10H,1-6H2,(H2,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 6n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret M918T mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 7n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret Y791F mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 10n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret G691S mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 14n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret Y791F mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134785
PNG
(CHEMBL3753512)
Show SMILES Nc1ncnc2n(nc(-c3cc(on3)C3CC3)c12)C1CCCCC1
Show InChI InChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 14n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret G691S mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 18n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret M918T mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 21n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804L mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 23n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p70S6K by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136293
PNG
(CHEMBL3752118)
Show SMILES Cn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C12H12N6O/c1-18-12-9(11(13)14-5-15-12)10(16-18)7-4-8(19-17-7)6-2-3-6/h4-6H,2-3H2,1H3,(H2,13,14,15)
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n/an/a 27n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134786
PNG
(CHEMBL3751904)
Show SMILES Nc1ncnc2n(nc(-c3cc(on3)C3CC3)c12)C1CCOCC1
Show InChI InChI=1S/C16H18N6O2/c17-15-13-14(11-7-12(24-21-11)9-1-2-9)20-22(16(13)19-8-18-15)10-3-5-23-6-4-10/h7-10H,1-6H2,(H2,17,18,19)
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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 V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136227
PNG
(CHEMBL3753958)
Show SMILES CCc1cc(no1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C13H16N6O/c1-4-8-5-9(18-20-8)11-10-12(14)15-6-16-13(10)19(17-11)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15,16)
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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 wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
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 wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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 wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 54n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret S891A mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 57n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret M918T mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 65n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGR by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136229
PNG
(CHEMBL3752712)
Show SMILES CC(C)(O)Cn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C15H18N6O2/c1-15(2,22)6-21-14-11(13(16)17-7-18-14)12(19-21)9-5-10(23-20-9)8-3-4-8/h5,7-8,22H,3-4,6H2,1-2H3,(H2,16,17,18)
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n/an/a 68n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 72n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT4 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136235
PNG
(CHEMBL3754346)
Show SMILES Nc1ncnc2n(Cc3ccccc3)nc(-c3cc(on3)C3CC3)c12
Show InChI InChI=1S/C18H16N6O/c19-17-15-16(13-8-14(25-23-13)12-6-7-12)22-24(18(15)21-10-20-17)9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,19,20,21)
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n/an/a 74n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 75n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret G691S mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 82n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK2 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 96n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VGFR2 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136232
PNG
(CHEMBL3753242)
Show SMILES CCCCCCCn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C18H24N6O/c1-2-3-4-5-6-9-24-18-15(17(19)20-11-21-18)16(22-24)13-10-14(25-23-13)12-7-8-12/h10-12H,2-9H2,1H3,(H2,19,20,21)
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n/an/a 96n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 137n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HCK by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 142n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK1 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136236
PNG
(CHEMBL3754092)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C17H15FN6O/c1-9(2)24-17-14(16(19)20-8-21-17)15(22-24)12-7-13(25-23-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H2,19,20,21)
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n/an/a 150n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136293
PNG
(CHEMBL3752118)
Show SMILES Cn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C12H12N6O/c1-18-12-9(11(13)14-5-15-12)10(16-18)7-4-8(19-17-7)6-2-3-6/h4-6H,2-3H2,1H3,(H2,13,14,15)
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n/an/a 182n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136295
PNG
(CHEMBL3754442)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20)
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n/an/a 190n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136223
PNG
(CHEMBL3751965)
Show SMILES CC(C)n1nc(-c2cc(on2)C(C)(C)C)c2c(N)ncnc12
Show InChI InChI=1S/C15H20N6O/c1-8(2)21-14-11(13(16)17-7-18-14)12(19-21)9-6-10(22-20-9)15(3,4)5/h6-8H,1-5H3,(H2,16,17,18)
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n/an/a 210n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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 wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136229
PNG
(CHEMBL3752712)
Show SMILES CC(C)(O)Cn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C15H18N6O2/c1-15(2,22)6-21-14-11(13(16)17-7-18-14)12(19-21)9-5-10(23-20-9)8-3-4-8/h5,7-8,22H,3-4,6H2,1-2H3,(H2,16,17,18)
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n/an/a 217n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 230n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804L mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136225
PNG
(CHEMBL3753903)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CCCC2)c2c(N)ncnc12
Show InChI InChI=1S/C16H20N6O/c1-9(2)22-16-13(15(17)18-8-19-16)14(20-22)11-7-12(23-21-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
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n/an/a 241n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134789
PNG
(CHEMBL3753714)
Show SMILES CC(C)n1nc(-c2cc(Cc3ccccc3)on2)c2c(N)ncnc12
Show InChI InChI=1S/C18H18N6O/c1-11(2)24-18-15(17(19)20-10-21-18)16(22-24)14-9-13(25-23-14)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21)
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n/an/a 241n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 311n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human RSK1 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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 354n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
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 355n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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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n/an/a 358n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136227
PNG
(CHEMBL3753958)
Show SMILES CCc1cc(no1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C13H16N6O/c1-4-8-5-9(18-20-8)11-10-12(14)15-6-16-13(10)19(17-11)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15,16)
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n/an/a 531n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136235
PNG
(CHEMBL3754346)
Show SMILES Nc1ncnc2n(Cc3ccccc3)nc(-c3cc(on3)C3CC3)c12
Show InChI InChI=1S/C18H16N6O/c19-17-15-16(13-8-14(25-23-13)12-6-7-12)22-24(18(15)21-10-20-17)9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,19,20,21)
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n/an/a 557n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134788
PNG
(CHEMBL3752736)
Show SMILES CC(C)n1nc(C2=NOC(C2)c2ccccc2)c2c(N)ncnc12 |t:6|
Show InChI InChI=1S/C17H18N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H2,18,19,20)
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n/an/a 583n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
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 903n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136291
PNG
(CHEMBL3752827)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CCCCC2)c2c(N)ncnc12
Show InChI InChI=1S/C17H22N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,18,19,20)
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n/an/a 910n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134790
PNG
(CHEMBL3754247)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccn2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
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n/an/a 910n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136232
PNG
(CHEMBL3753242)
Show SMILES CCCCCCCn1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C18H24N6O/c1-2-3-4-5-6-9-24-18-15(17(19)20-11-21-18)16(22-24)13-10-14(25-23-13)12-7-8-12/h10-12H,2-9H2,1H3,(H2,19,20,21)
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n/an/a 927n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136225
PNG
(CHEMBL3753903)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CCCC2)c2c(N)ncnc12
Show InChI InChI=1S/C16H20N6O/c1-9(2)22-16-13(15(17)18-8-19-16)14(20-22)11-7-12(23-21-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134789
PNG
(CHEMBL3753714)
Show SMILES CC(C)n1nc(-c2cc(Cc3ccccc3)on2)c2c(N)ncnc12
Show InChI InChI=1S/C18H18N6O/c1-11(2)24-18-15(17(19)20-10-21-18)16(22-24)14-9-13(25-23-14)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136223
PNG
(CHEMBL3751965)
Show SMILES CC(C)n1nc(-c2cc(on2)C(C)(C)C)c2c(N)ncnc12
Show InChI InChI=1S/C15H20N6O/c1-8(2)21-14-11(13(16)17-7-18-14)12(19-21)9-6-10(22-20-9)15(3,4)5/h6-8H,1-5H3,(H2,16,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804L mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134787
PNG
(CHEMBL3753503)
Show SMILES CC(C)n1nc(\C=N\O)c2c(N)ncnc12
Show InChI InChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+
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n/an/a 3.68E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134787
PNG
(CHEMBL3753503)
Show SMILES CC(C)n1nc(\C=N\O)c2c(N)ncnc12
Show InChI InChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134788
PNG
(CHEMBL3752736)
Show SMILES CC(C)n1nc(C2=NOC(C2)c2ccccc2)c2c(N)ncnc12 |t:6|
Show InChI InChI=1S/C17H18N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H2,18,19,20)
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n/an/a 5.68E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134790
PNG
(CHEMBL3754247)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccn2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
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n/an/a 5.88E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50136292
PNG
(CHEMBL3754195)
Show SMILES CC(C)n1nc(\C=N\OCc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18N6O/c1-11(2)22-16-14(15(17)18-10-19-16)13(21-22)8-20-23-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19)/b20-8+
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n/an/a 8.33E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%