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PubMed code 25232968

Compile data set for download or QSAR
Found 22 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))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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Article
PubMed
n/an/a 102n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 210n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 250n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr905 phosphorylation at 0.5 to 10 uM incubated...


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 250n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr1062 phosphorylation at 0.5 to 10 uM incubate...


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 380n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 20 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 420n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 3 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027457
PNG
(CHEMBL3329397)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)no1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)18-13-19(25-28-18)24-21(27)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-26(20)14-17/h4-11,13-14H,12H2,1-3H3,(H,24,25,27)
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n/an/a 440n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 0 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027456
PNG
(CHEMBL3329404)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1
Show InChI InChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27)
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n/an/a 750n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027456
PNG
(CHEMBL3329404)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1
Show InChI InChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr1062 phosphorylation at 0.5 to 10 uM incubate...


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027456
PNG
(CHEMBL3329404)
Show SMILES CC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1
Show InChI InChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr905 phosphorylation at 0.5 to 10 uM incubated...


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027458
PNG
(CHEMBL3329403)
Show SMILES FC(F)(F)c1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-2-5-16(13-15)26-19(29)12-14-3-1-6-17(11-14)30-20-8-7-18-25-9-10-28(18)27-20/h1-11,13H,12H2,(H,26,29)
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n/an/a 9.10E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027459
PNG
(CHEMBL3329402)
Show SMILES O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1ccccc1
Show InChI InChI=1S/C20H16N4O2/c25-19(22-16-6-2-1-3-7-16)14-15-5-4-8-17(13-15)26-20-10-9-18-21-11-12-24(18)23-20/h1-13H,14H2,(H,22,25)
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n/an/a 1.43E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027464
PNG
(CHEMBL3329396)
Show SMILES FC(F)(F)c1cccc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)c1
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)18-2-1-3-19(13-18)27-21(29)12-15-4-6-16(7-5-15)17-8-9-20-26-10-11-28(20)14-17/h1-11,13-14H,12H2,(H,27,29)
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n/an/a 1.57E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027460
PNG
(CHEMBL3329401)
Show SMILES Clc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C20H15ClN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26)
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n/an/a 1.72E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027465
PNG
(CHEMBL3329395)
Show SMILES O=C(Cc1ccc(cc1)-c1ccc2nccn2c1)Nc1ccccc1
Show InChI InChI=1S/C21H17N3O/c25-21(23-19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-11-20-22-12-13-24(20)15-18/h1-13,15H,14H2,(H,23,25)
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n/an/a 1.88E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027461
PNG
(CHEMBL3329400)
Show SMILES Fc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C20H15FN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26)
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n/an/a 1.93E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027462
PNG
(CHEMBL3329399)
Show SMILES Cc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C21H18N4O2/c1-15-4-2-6-17(12-15)23-20(26)14-16-5-3-7-18(13-16)27-21-9-8-19-22-10-11-25(19)24-21/h2-13H,14H2,1H3,(H,23,26)
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n/an/a 2.04E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027463
PNG
(CHEMBL3329398)
Show SMILES Brc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C20H15BrN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26)
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n/an/a 2.23E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027466
PNG
(CHEMBL3329394)
Show SMILES Clc1cccc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)c1
Show InChI InChI=1S/C21H16ClN3O/c22-18-2-1-3-19(13-18)24-21(26)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-25(20)14-17/h1-11,13-14H,12H2,(H,24,26)
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n/an/a 6.78E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027468
PNG
(CHEMBL3329392)
Show SMILES Cc1cccc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)c1
Show InChI InChI=1S/C22H19N3O/c1-16-3-2-4-20(13-16)24-22(26)14-17-5-7-18(8-6-17)19-9-10-21-23-11-12-25(21)15-19/h2-13,15H,14H2,1H3,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027469
PNG
(CHEMBL3329391)
Show SMILES Brc1cccc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)c1
Show InChI InChI=1S/C21H16BrN3O/c22-18-2-1-3-19(13-18)24-21(26)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-25(20)14-17/h1-11,13-14H,12H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50027467
PNG
(CHEMBL3329393)
Show SMILES Fc1cccc(NC(=O)Cc2ccc(cc2)-c2ccc3nccn3c2)c1
Show InChI InChI=1S/C21H16FN3O/c22-18-2-1-3-19(13-18)24-21(26)12-15-4-6-16(7-5-15)17-8-9-20-23-10-11-25(20)14-17/h1-11,13-14H,12H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay


Eur J Med Chem 86: 714-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.023
BindingDB Entry DOI: 10.7270/Q2TD9ZZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%