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PubMed code 27815117

Compile data set for download or QSAR
Found 16 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))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 0.900n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203455
PNG
(CHEMBL3906151)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3noc(n3)-c3cncc(c3)-c3cnn(C)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28ClF3N8O2/c1-41-7-9-43(10-8-41)18-20-3-5-24(13-26(20)31(33,34)35)38-29(44)19-4-6-27(32)25(12-19)28-39-30(45-40-28)22-11-21(14-36-15-22)23-16-37-42(2)17-23/h3-6,11-17H,7-10,18H2,1-2H3,(H,38,44)
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n/an/a 1.80n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203453
PNG
(CHEMBL3947880)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3noc(n3)-c3cncc(c3)N3CCOCC3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H31ClF3N7O3/c1-40-6-8-41(9-7-40)19-21-2-4-23(16-26(21)31(33,34)35)37-29(43)20-3-5-27(32)25(15-20)28-38-30(45-39-28)22-14-24(18-36-17-22)42-10-12-44-13-11-42/h2-5,14-18H,6-13,19H2,1H3,(H,37,43)
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n/an/a 2.10n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203450
PNG
(CHEMBL3916184)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H24ClF3N4O/c1-34-11-13-35(14-12-34)18-22-6-8-23(16-24(22)27(29,30)31)33-26(36)21-7-9-25(28)20(15-21)5-4-19-3-2-10-32-17-19/h2-3,6-10,15-17H,11-14,18H2,1H3,(H,33,36)
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n/an/a 2.5n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203454
PNG
(CHEMBL3961612)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3noc(n3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H24ClF3N6O2/c1-36-9-11-37(12-10-36)16-19-4-6-20(14-22(19)27(29,30)31)33-25(38)17-5-7-23(28)21(13-17)24-34-26(39-35-24)18-3-2-8-32-15-18/h2-8,13-15H,9-12,16H2,1H3,(H,33,38)
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n/an/a 7.30n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203456
PNG
(CHEMBL3987007)
Show SMILES COCCOc1cncc(c1)-c1nc(no1)-c1cc(ccc1Cl)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30ClF3N6O4/c1-39-7-9-40(10-8-39)18-20-3-5-22(15-25(20)30(32,33)34)36-28(41)19-4-6-26(31)24(14-19)27-37-29(44-38-27)21-13-23(17-35-16-21)43-12-11-42-2/h3-6,13-17H,7-12,18H2,1-2H3,(H,36,41)
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n/an/a 11n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203457
PNG
(CHEMBL3985315)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3nc(no3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H24ClF3N6O2/c1-36-9-11-37(12-10-36)16-19-4-6-20(14-22(19)27(29,30)31)33-25(38)17-5-7-23(28)21(13-17)26-34-24(35-39-26)18-3-2-8-32-15-18/h2-8,13-15H,9-12,16H2,1H3,(H,33,38)
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n/an/a 12n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203451
PNG
(CHEMBL3943036)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3noc(n3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-10-12-36(13-11-35)17-21-7-8-22(15-23(21)27(28,29)30)32-25(37)19-5-2-4-18(14-19)24-33-26(38-34-24)20-6-3-9-31-16-20/h2-9,14-16H,10-13,17H2,1H3,(H,32,37)
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n/an/a 18n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203446
PNG
(CHEMBL3952889)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3cnc(o3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H25ClF3N5O2/c1-36-9-11-37(12-10-36)17-20-4-6-21(14-23(20)28(30,31)32)35-26(38)18-5-7-24(29)22(13-18)25-16-34-27(39-25)19-3-2-8-33-15-19/h2-8,13-16H,9-12,17H2,1H3,(H,35,38)
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n/an/a 19n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203449
PNG
(CHEMBL3925190)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3nc(co3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H25ClF3N5O2/c1-36-9-11-37(12-10-36)16-20-4-6-21(14-23(20)28(30,31)32)34-26(38)18-5-7-24(29)22(13-18)27-35-25(17-39-27)19-3-2-8-33-15-19/h2-8,13-15,17H,9-12,16H2,1H3,(H,34,38)
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n/an/a 21n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203447
PNG
(CHEMBL3913553)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3noc(n3)-c3ccncc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H24ClF3N6O2/c1-36-10-12-37(13-11-36)16-19-2-4-20(15-22(19)27(29,30)31)33-25(38)18-3-5-23(28)21(14-18)24-34-26(39-35-24)17-6-8-32-9-7-17/h2-9,14-15H,10-13,16H2,1H3,(H,33,38)
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n/an/a 27n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203452
PNG
(CHEMBL3972633)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-c3noc(n3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H27F3N6O2/c1-18-5-6-19(14-23(18)25-34-27(39-35-25)20-4-3-9-32-16-20)26(38)33-22-8-7-21(24(15-22)28(29,30)31)17-37-12-10-36(2)11-13-37/h3-9,14-16H,10-13,17H2,1-2H3,(H,33,38)
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n/an/a 108n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203458
PNG
(CHEMBL3915551)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3nnc(o3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H24ClF3N6O2/c1-36-9-11-37(12-10-36)16-19-4-6-20(14-22(19)27(29,30)31)33-24(38)17-5-7-23(28)21(13-17)26-35-34-25(39-26)18-3-2-8-32-15-18/h2-8,13-15H,9-12,16H2,1H3,(H,33,38)
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n/an/a 138n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 180n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation after 72 hrs by MTT assay


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50203448
PNG
(CHEMBL3961567)
Show SMILES COc1ccc(cn1)-c1nc(no1)-c1cc(ccc1Cl)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF3N6O3/c1-37-9-11-38(12-10-37)16-19-3-6-20(14-22(19)28(30,31)32)34-26(39)17-4-7-23(29)21(13-17)25-35-27(41-36-25)18-5-8-24(40-2)33-15-18/h3-8,13-15H,9-12,16H2,1-2H3,(H,34,39)
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n/an/a 342n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens)
BDBM50203455
PNG
(CHEMBL3906151)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-c3noc(n3)-c3cncc(c3)-c3cnn(C)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28ClF3N8O2/c1-41-7-9-43(10-8-41)18-20-3-5-24(13-26(20)31(33,34)35)38-29(44)19-4-6-27(32)25(12-19)28-39-30(45-40-28)22-11-21(14-36-15-22)23-16-37-42(2)17-23/h3-6,11-17H,7-10,18H2,1-2H3,(H,38,44)
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n/an/a 407n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation after 72 hrs by MTT assay


Bioorg Med Chem Lett 26: 5679-5684 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.061
BindingDB Entry DOI: 10.7270/Q2J1054S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%