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Compile Data Set for Download or QSAR

Found 8169 hits of ic50 for UniProtKB: P07949   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
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n/an/a 0.0170n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370388
PNG
(US10233189, Example 81 | US10787457, Example 81 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370388
PNG
(US10233189, Example 81 | US10787457, Example 81 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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n/an/a 0.0400n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370388
PNG
(US10233189, Example 81 | US10787457, Example 81 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50240779
PNG
(CHEMBL4067871)
Show SMILES OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C28H22ClN3O2/c29-22-8-9-27(34)25(13-22)28-24(20-6-7-21-15-30-11-10-19(21)12-20)14-23(16-31-28)32-26(17-33)18-4-2-1-3-5-18/h1-16,26,32-34H,17H2/t26-/m0/s1
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Patents


Similars

Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Ret (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499158
PNG
(US11014930, Example 81)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370382
PNG
(US10233189, Example 79 | US10787457, Example 79 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370382
PNG
(US10233189, Example 79 | US10787457, Example 79 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499156
PNG
(US11014930, Example 79)
Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370382
PNG
(US10233189, Example 79 | US10787457, Example 79 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370385
PNG
(US10233189, Example 80 | US10787457, Example 80 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370385
PNG
(US10233189, Example 80 | US10787457, Example 80 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)
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n/an/a 0.0900n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499157
PNG
(US11014930, Example 80)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)
PDB
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n/an/a 0.0900n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370385
PNG
(US10233189, Example 80 | US10787457, Example 80 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)
PDB
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n/an/a 0.0900n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577053
PNG
(US11472802, Example 58)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)nccc12
PDB
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311705
PNG
(Ex. Cpd. 157 | US10807986, Example 157 | US1104669...)
Show SMILES CCC(O)CC#Cc1c(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc2n1C1(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-4-18(31)6-5-7-19-20(24(32)29-17-10-8-16(9-11-17)14-33-3)21-22(26)27-15-28-23(21)30(19)25(2)12-13-25/h8-11,15,18,31H,4,6,12-14H2,1-3H3,(H,29,32)(H2,26,27,28)
PDB
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370400
PNG
(US10233189, Example 85 | US10787457, Example 85 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
PDB
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370400
PNG
(US10233189, Example 85 | US10787457, Example 85 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
PDB
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n/an/a 0.100n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311622
PNG
(Ex. Cpd. 59 | US10807986, Example 59 | US11046696,...)
Show SMILES CSCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5OS/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311639
PNG
(Ex. Cpd. 91 | US10807986, Example 91 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4cccnn34)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H24N8O2/c1-27(11-12-27)34-20(10-9-19-14-29-21-4-3-13-32-35(19)21)22(23-24(28)30-16-31-25(23)34)26(36)33-18-7-5-17(6-8-18)15-37-2/h3-8,13-14,16H,11-12,15H2,1-2H3,(H,33,36)(H2,28,30,31)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311679
PNG
(Ex. Cpd. 131 | US10807986, Example 131 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(9-12-26(33)10-3-4-11-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-7-5-17(6-8-18)15-34-2/h5-8,16,33H,3-4,10-11,13-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311705
PNG
(Ex. Cpd. 157 | US10807986, Example 157 | US1104669...)
Show SMILES CCC(O)CC#Cc1c(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc2n1C1(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-4-18(31)6-5-7-19-20(24(32)29-17-10-8-16(9-11-17)14-33-3)21-22(26)27-15-28-23(21)30(19)25(2)12-13-25/h8-11,15,18,31H,4,6,12-14H2,1-3H3,(H,29,32)(H2,26,27,28)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370397
PNG
(US10233189, Example 84 | US10787457, Example 84 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H26N8O2/c1-14-12-16(28-27-14)26-21(31)17-15(4-3-7-29-8-10-32-11-9-29)30(22(2)5-6-22)20-18(17)19(23)24-13-25-20/h12-13H,5-11H2,1-2H3,(H2,23,24,25)(H2,26,27,28,31)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370400
PNG
(US10233189, Example 85 | US10787457, Example 85 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499161
PNG
(US11014930, Example 84)
Show SMILES Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C22H26N8O2/c1-14-12-16(28-27-14)26-21(31)17-15(4-3-7-29-8-10-32-11-9-29)30(22(2)5-6-22)20-18(17)19(23)24-13-25-20/h12-13H,5-11H2,1-2H3,(H2,23,24,25)(H2,26,27,28,31)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311679
PNG
(Ex. Cpd. 131 | US10807986, Example 131 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(9-12-26(33)10-3-4-11-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-7-5-17(6-8-18)15-34-2/h5-8,16,33H,3-4,10-11,13-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311705
PNG
(Ex. Cpd. 157 | US10807986, Example 157 | US1104669...)
Show SMILES CCC(O)CC#Cc1c(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc2n1C1(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-4-18(31)6-5-7-19-20(24(32)29-17-10-8-16(9-11-17)14-33-3)21-22(26)27-15-28-23(21)30(19)25(2)12-13-25/h8-11,15,18,31H,4,6,12-14H2,1-3H3,(H,29,32)(H2,26,27,28)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370400
PNG
(US10233189, Example 85 | US10787457, Example 85 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50458625
PNG
(CHEMBL4218013)
Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(NC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C28H31F4N5O3/c1-3-36-9-11-37(12-10-36)17-19-5-7-21(15-22(19)28(30,31)32)34-27(39)35-24-8-6-18(13-23(24)29)20-14-25(40-4-2)26(38)33-16-20/h5-8,13-16H,3-4,9-12,17H2,1-2H3,(H,33,38)(H2,34,35,39)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...


ACS Med Chem Lett 9: 623-628 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311622
PNG
(Ex. Cpd. 59 | US10807986, Example 59 | US11046696,...)
Show SMILES CSCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5OS/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311639
PNG
(Ex. Cpd. 91 | US10807986, Example 91 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4cccnn34)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H24N8O2/c1-27(11-12-27)34-20(10-9-19-14-29-21-4-3-13-32-35(19)21)22(23-24(28)30-16-31-25(23)34)26(36)33-18-7-5-17(6-8-18)15-37-2/h3-8,13-14,16H,11-12,15H2,1-2H3,(H,33,36)(H2,28,30,31)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370397
PNG
(US10233189, Example 84 | US10787457, Example 84 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H26N8O2/c1-14-12-16(28-27-14)26-21(31)17-15(4-3-7-29-8-10-32-11-9-29)30(22(2)5-6-22)20-18(17)19(23)24-13-25-20/h12-13H,5-11H2,1-2H3,(H2,23,24,25)(H2,26,27,28,31)
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Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311622
PNG
(Ex. Cpd. 59 | US10807986, Example 59 | US11046696,...)
Show SMILES CSCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5OS/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311639
PNG
(Ex. Cpd. 91 | US10807986, Example 91 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4cccnn34)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H24N8O2/c1-27(11-12-27)34-20(10-9-19-14-29-21-4-3-13-32-35(19)21)22(23-24(28)30-16-31-25(23)34)26(36)33-18-7-5-17(6-8-18)15-37-2/h3-8,13-14,16H,11-12,15H2,1-2H3,(H,33,36)(H2,28,30,31)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311679
PNG
(Ex. Cpd. 131 | US10807986, Example 131 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(9-12-26(33)10-3-4-11-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-7-5-17(6-8-18)15-34-2/h5-8,16,33H,3-4,10-11,13-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370397
PNG
(US10233189, Example 84 | US10787457, Example 84 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H26N8O2/c1-14-12-16(28-27-14)26-21(31)17-15(4-3-7-29-8-10-32-11-9-29)30(22(2)5-6-22)20-18(17)19(23)24-13-25-20/h12-13H,5-11H2,1-2H3,(H2,23,24,25)(H2,26,27,28,31)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50595124
PNG
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI: 10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370372
PNG
(US10233189, Example 76 | US10787457, Example 76 | ...)
Show SMILES Cc1cc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C15H16BrN7O/c1-7-5-8(22-21-7)20-14(24)9-10-12(17)18-6-19-13(10)23(11(9)16)15(2)3-4-15/h5-6H,3-4H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370372
PNG
(US10233189, Example 76 | US10787457, Example 76 | ...)
Show SMILES Cc1cc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C15H16BrN7O/c1-7-5-8(22-21-7)20-14(24)9-10-12(17)18-6-19-13(10)23(11(9)16)15(2)3-4-15/h5-6H,3-4H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499153
PNG
(US11014930, Example 76)
Show SMILES Cc1cc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C15H16BrN7O/c1-7-5-8(22-21-7)20-14(24)9-10-12(17)18-6-19-13(10)23(11(9)16)15(2)3-4-15/h5-6H,3-4H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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n/an/a 0.140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370372
PNG
(US10233189, Example 76 | US10787457, Example 76 | ...)
Show SMILES Cc1cc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C15H16BrN7O/c1-7-5-8(22-21-7)20-14(24)9-10-12(17)18-6-19-13(10)23(11(9)16)15(2)3-4-15/h5-6H,3-4H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US10787457 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8W77
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370403
PNG
(US10233189, Example 86 | US10787457, Example 86 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-16(28-27-13)26-21(30)17-15(4-3-14-5-9-31-10-6-14)29(22(2)7-8-22)20-18(17)19(23)24-12-25-20/h11-12,14H,5-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370391
PNG
(US10233189, Example 82 | US10787457, Example 82 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cnn(C)c3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C21H21N9O/c1-12-8-15(28-27-12)26-20(31)16-14(5-4-13-9-25-29(3)10-13)30(21(2)6-7-21)19-17(16)18(22)23-11-24-19/h8-11H,6-7H2,1-3H3,(H2,22,23,24)(H2,26,27,28,31)
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Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2B85BDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370416
PNG
(US10233189, Example 63 | US10787457, Example 63 | ...)
Show SMILES CC(C)(C)n1cc(C(=O)Nc2cc(Br)[nH]n2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16BrN7O/c1-14(2,3)22-5-7(10-11(16)17-6-18-12(10)22)13(23)19-9-4-8(15)20-21-9/h4-6H,1-3H3,(H2,16,17,18)(H2,19,20,21,23)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370342
PNG
(US10233189, Example 66 | US10787457, Example 66 | ...)
Show SMILES CC(C)(CF)n1cc(C(=O)Nc2cc(Br)n[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C14H15BrFN7O/c1-14(2,5-16)23-4-7(10-11(17)18-6-19-12(10)23)13(24)20-9-3-8(15)21-22-9/h3-4,6H,5H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370345
PNG
(US10233189, Example 67 | US10787457, Example 67 | ...)
Show SMILES CC1(CC1)n1cc(C(=O)Nc2cc(Br)n[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C14H14BrN7O/c1-14(2-3-14)22-5-7(10-11(16)17-6-18-12(10)22)13(23)19-9-4-8(15)20-21-9/h4-6H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21,23)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370369
PNG
(US10233189, Example 75 | US10787457, Example 75 | ...)
Show SMILES Cc1cc(NC(=O)c2c(Cl)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C15H16ClN7O/c1-7-5-8(22-21-7)20-14(24)9-10-12(17)18-6-19-13(10)23(11(9)16)15(2)3-4-15/h5-6H,3-4H2,1-2H3,(H2,17,18,19)(H2,20,21,22,24)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370379
PNG
(US10233189, Example 78 | US10787457, Example 78 | ...)
Show SMILES Cc1cc(NC(=O)c2c(Cl)n(c3ncnc(N)c23)C(C)(C)CF)[nH]n1
Show InChI InChI=1S/C15H17ClFN7O/c1-7-4-8(23-22-7)21-14(25)9-10-12(18)19-6-20-13(10)24(11(9)16)15(2,3)5-17/h4,6H,5H2,1-3H3,(H2,18,19,20)(H2,21,22,23,25)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM370391
PNG
(US10233189, Example 82 | US10787457, Example 82 | ...)
Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cnn(C)c3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1
Show InChI InChI=1S/C21H21N9O/c1-12-8-15(28-27-12)26-20(31)16-14(5-4-13-9-25-29(3)10-13)30(21(2)6-7-21)19-17(16)18(22)23-11-24-19/h8-11H,6-7H2,1-3H3,(H2,22,23,24)(H2,26,27,28,31)
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TBA

Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154M86
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM499163
PNG
(US11014930, Example 86)
Show SMILES Cc1cc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1
Show InChI InChI=1S/C22H25N7O2/c1-13-11-16(28-27-13)26-21(30)17-15(4-3-14-5-9-31-10-6-14)29(22(2)7-8-22)20-18(17)19(23)24-12-25-20/h11-12,14H,5-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...


US Patent US11014930 (2021)


BindingDB Entry DOI: 10.7270/Q26D5X4G
More data for this
Ligand-Target Pair
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