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Compile Data Set for Download or QSAR

Found 6059 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 [V804M]


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0170n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151 | US10807986, Example 151 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577049
PNG
(US11472802, Example 55)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311717
PNG
(Ex. Cpd. 169 | US10807986, Example 169 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCn3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H26N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h3-4,7-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311700
PNG
(Ex. Cpd. 152 | US10807986, Example 152 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c1-27(12-13-27)32-21(5-3-4-18-10-14-35-15-11-18)22(23-24(28)29-17-30-25(23)32)26(33)31-20-8-6-19(7-9-20)16-34-2/h6-9,17-18H,4,10-16H2,1-2H3,(H,31,33)(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151 | US10807986, Example 151 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311651
PNG
(Ex. Cpd. 103 | US10807986, Example 103 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(5-3-10-26(33)11-4-12-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-8-6-17(7-9-18)15-34-2/h6-9,16,33H,4,10-15H2,1-2H3,(H,30,32)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311643
PNG
(Ex. Cpd. 95 | US10807986, Example 95 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C22H23N5O2/c1-4-5-16-17(21(28)26-15-8-6-14(7-9-15)12-29-3)18-19(23)24-13-25-20(18)27(16)22(2)10-11-22/h6-9,13H,10-12H2,1-3H3,(H,26,28)(H2,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311634
PNG
(Ex. Cpd. 86 | US10807986, Example 86 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-24(2,32)11-5-6-18-19(23(31)29-17-9-7-16(8-10-17)14-33-4)20-21(26)27-15-28-22(20)30(18)25(3)12-13-25/h7-10,15,32H,11-14H2,1-4H3,(H,29,31)(H2,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151 | US10807986, Example 151 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577063
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCN(C)C2=O)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311653
PNG
(Ex. Cpd. 105 | US10807986, Example 105 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H32N6O2/c1-27(12-13-27)33-21(7-6-16-32-14-4-3-5-15-32)22(23-24(28)29-18-30-25(23)33)26(34)31-20-10-8-19(9-11-20)17-35-2/h8-11,18H,3-5,12-17H2,1-2H3,(H,31,34)(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311652
PNG
(Ex. Cpd. 104 | US10807986, Example 104 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC(O)C3CC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H27N5O3/c1-25(11-12-25)30-18(9-10-19(31)16-5-6-16)20(21-22(26)27-14-28-23(21)30)24(32)29-17-7-3-15(4-8-17)13-33-2/h3-4,7-8,14,16,19,31H,5-6,11-13H2,1-2H3,(H,29,32)(H2,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311636
PNG
(Ex. Cpd. 88 | US10807986, Example 88 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h7-10,17H,3-4,11-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311723
PNG
(Ex. Cpd. 175 | US10807986, Example 175 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cncc(F)c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H23FN6O2/c1-26(9-10-26)33-20(8-5-17-11-18(27)13-29-12-17)21(22-23(28)30-15-31-24(22)33)25(34)32-19-6-3-16(4-7-19)14-35-2/h3-4,6-7,11-13,15H,9-10,14H2,1-2H3,(H,32,34)(H2,28,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM576996
PNG
(US11472802, Example 11)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM508562
PNG
(US11046696, Compound 112)
Show SMILES COCc1ccc(CC(=O)c2c(C#CC3CCC(=O)CC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311707
PNG
(Ex. Cpd. 159 | US10807986, Example 159 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4ccoc4c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H24N6O3/c1-28(10-11-28)34-21(8-5-18-13-22-20(30-14-18)9-12-37-22)23(24-25(29)31-16-32-26(24)34)27(35)33-19-6-3-17(4-7-19)15-36-2/h3-4,6-7,9,12-14,16H,10-11,15H2,1-2H3,(H,33,35)(H2,29,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577064
PNG
(US11472802, Example 68)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311704
PNG
(Ex. Cpd. 156 | US10807986, Example 156 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3NC(=O)NC3=O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H25N7O4/c1-25(10-11-25)32-17(5-3-4-16-22(33)31-24(35)30-16)18(19-20(26)27-13-28-21(19)32)23(34)29-15-8-6-14(7-9-15)12-36-2/h6-9,13,16H,4,10-12H2,1-2H3,(H,29,34)(H2,26,27,28)(H2,30,31,33,35)
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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 [V804M]


(Homo sapiens (Human))
BDBM311703
PNG
(Ex. Cpd. 155 | US10807986, Example 155 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3ccc(N)nc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H25N7O2/c1-26(11-12-26)33-19(9-5-16-6-10-20(27)29-13-16)21(22-23(28)30-15-31-24(22)33)25(34)32-18-7-3-17(4-8-18)14-35-2/h3-4,6-8,10,13,15H,11-12,14H2,1-2H3,(H2,27,29)(H,32,34)(H2,28,30,31)
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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 [V804M]


(Homo sapiens (Human))
BDBM311691
PNG
(Ex. Cpd. 143 | US10807986, Example 143 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O4/c1-26(10-11-26)32-20(4-3-9-27(34)12-14-36-15-13-27)21(22-23(28)29-17-30-24(22)32)25(33)31-19-7-5-18(6-8-19)16-35-2/h5-8,17,34H,9-16H2,1-2H3,(H,31,33)(H2,28,29,30)
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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 [V804M]


(Homo sapiens (Human))
BDBM311673
PNG
(Ex. Cpd. 125 | US10807986, Example 125 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)COC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-24(10-11-24)30-18(4-3-9-25(32)13-34-14-25)19(20-21(26)27-15-28-22(20)30)23(31)29-17-7-5-16(6-8-17)12-33-2/h5-8,15,32H,9-14H2,1-2H3,(H,29,31)(H2,26,27,28)
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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 [V804M]


(Homo sapiens (Human))
BDBM469423
PNG
(US10807986, Example 89 | US11046696, Compound 89)
Show SMILES COCc1ccc(NC(=O)c2c(OC[C@H]3CCCO3)n(c3ncnc(N)c23)C2(C)CC2)cc1 |r|
Show InChI InChI=1S/C24H29N5O4/c1-24(9-10-24)29-21-18(20(25)26-14-27-21)19(23(29)33-13-17-4-3-11-32-17)22(30)28-16-7-5-15(6-8-16)12-31-2/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,28,30)(H2,25,26,27)/t17-/m1/s1
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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 [V804M]


(Homo sapiens (Human))
BDBM311635
PNG
(Ex. Cpd. 87 | US10807986, Example 87 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-26(11-12-26)31-20(8-5-17-9-13-34-14-10-17)21(22-23(27)28-16-29-24(22)31)25(32)30-19-6-3-18(4-7-19)15-33-2/h3-4,6-7,16-17H,9-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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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 [V804M]


(Homo sapiens (Human))
BDBM311700
PNG
(Ex. Cpd. 152 | US10807986, Example 152 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c1-27(12-13-27)32-21(5-3-4-18-10-14-35-15-11-18)22(23-24(28)29-17-30-25(23)32)26(33)31-20-8-6-19(7-9-20)16-34-2/h6-9,17-18H,4,10-16H2,1-2H3,(H,31,33)(H2,28,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311700
PNG
(Ex. Cpd. 152 | US10807986, Example 152 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c1-27(12-13-27)32-21(5-3-4-18-10-14-35-15-11-18)22(23-24(28)29-17-30-25(23)32)26(33)31-20-8-6-19(7-9-20)16-34-2/h6-9,17-18H,4,10-16H2,1-2H3,(H,31,33)(H2,28,29,30)
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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 (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311741
PNG
(Ex. Cpd. 193 | US10807986, Example 193 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cncs3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H22N6O2S/c1-24(9-10-24)30-18(8-7-17-11-26-14-33-17)19(20-21(25)27-13-28-22(20)30)23(31)29-16-5-3-15(4-6-16)12-32-2/h3-6,11,13-14H,9-10,12H2,1-2H3,(H,29,31)(H2,25,27,28)
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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 [V804M]


(Homo sapiens (Human))
BDBM311708
PNG
(Ex. Cpd. 160 | US10807986, Example 160 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cn[nH]c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H23N7O2/c1-24(9-10-24)31-18(8-5-16-11-28-29-12-16)19(20-21(25)26-14-27-22(20)31)23(32)30-17-6-3-15(4-7-17)13-33-2/h3-4,6-7,11-12,14H,9-10,13H2,1-2H3,(H,28,29)(H,30,32)(H2,25,26,27)
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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 [V804M]


(Homo sapiens (Human))
BDBM311711
PNG
(Ex. Cpd. 163 | US10807986, Example 163 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC(C)(C)n3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H30N6O2/c1-27(2,33-15-5-6-16-33)12-11-21-22(26(35)32-20-9-7-19(8-10-20)17-36-4)23-24(29)30-18-31-25(23)34(21)28(3)13-14-28/h5-10,15-16,18H,13-14,17H2,1-4H3,(H,32,35)(H2,29,30,31)
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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 [V804M]


(Homo sapiens (Human))
BDBM577050
PNG
(7-chloro-3-(5- cyclopropyl-4-(1H- imidazol-4- yl)i...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)ncc(Cl)c12
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577061
PNG
(US11472802, Example 65)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCC2=O)c2c(N)ncc(Cl)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311586
PNG
(Ex. Cpd. 23 | US10807986, Example 23 | US11046696,...)
Show SMILES CSCc1ccc(NC(=O)c2nn(c3ncnc(N)c23)C(C)(C)C)cc1
Show InChI InChI=1S/C18H22N6OS/c1-18(2,3)24-16-13(15(19)20-10-21-16)14(23-24)17(25)22-12-7-5-11(6-8-12)9-26-4/h5-8,10H,9H2,1-4H3,(H,22,25)(H2,19,20,21)
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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 [V804M]


(Homo sapiens (Human))
BDBM311603
PNG
(Ex. Cpd. 40 | US10807986, Example 40 | US11046696,...)
Show SMILES CSCc1ccc(NC(=O)c2cn(c3ncnc(N)c23)C(C)(C)CF)cc1
Show InChI InChI=1S/C19H22FN5OS/c1-19(2,10-20)25-8-14(15-16(21)22-11-23-17(15)25)18(26)24-13-6-4-12(5-7-13)9-27-3/h4-8,11H,9-10H2,1-3H3,(H,24,26)(H2,21,22,23)
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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 [V804M]


(Homo sapiens (Human))
BDBM311633
PNG
(Ex. Cpd. 85 | US10807986, Example 85 | US11046696,...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(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 [V804M]


(Homo sapiens (Human))
BDBM311751
PNG
(Ex. Cpd. 205 | US10807986, Example 205 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1F
Show InChI InChI=1S/C26H28FN5O3/c1-26(9-10-26)32-20(6-3-16-7-11-35-12-8-16)21(22-23(28)29-15-30-24(22)32)25(33)31-18-5-4-17(14-34-2)19(27)13-18/h4-5,13,15-16H,7-12,14H2,1-2H3,(H,31,33)(H2,28,29,30)
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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 [V804M]


(Homo sapiens (Human))
BDBM311736
PNG
(Ex. Cpd. 188 | US10807986, Example 188 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC(C)O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H27N5O3/c1-15(30)5-4-6-18-19(23(31)28-17-9-7-16(8-10-17)13-32-3)20-21(25)26-14-27-22(20)29(18)24(2)11-12-24/h7-10,14-15,30H,5,11-13H2,1-3H3,(H,28,31)(H2,25,26,27)
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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 [V804M]


(Homo sapiens (Human))
BDBM311734
PNG
(Ex. Cpd. 186 | US10807986, Example 186 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3ccncc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H24N6O2/c1-26(11-12-26)32-20(8-5-17-9-13-28-14-10-17)21(22-23(27)29-16-30-24(22)32)25(33)31-19-6-3-18(4-7-19)15-34-2/h3-4,6-7,9-10,13-14,16H,11-12,15H2,1-2H3,(H,31,33)(H2,27,29,30)
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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 [V804M]


(Homo sapiens (Human))
BDBM577053
PNG
(US11472802, Example 58)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)nccc12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577047
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1-methyl-1H-pyrazol-...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccn(C)n2)c2c(N)ncc(Cl)c12
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BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577046
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1H-pyrazol-3- yl)iso...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc[nH]n2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM597662
PNG
(US11603374, Example 17)
Show SMILES Nc1ncnc2n(cc(-c3cc(on3)C3CC3)c12)C1CCCC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/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/Q2Z323KZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311717
PNG
(Ex. Cpd. 169 | US10807986, Example 169 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCn3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H26N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h3-4,7-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM311747
PNG
(Ex. Cpd. 199 | US10807986, Example 199 | US1104669...)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3CCCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H33N5O2/c1-28(15-16-28)33-22(10-6-9-19-7-4-3-5-8-19)23(24-25(29)30-18-31-26(24)33)27(34)32-21-13-11-20(12-14-21)17-35-2/h11-14,18-19H,3-5,7-9,15-17H2,1-2H3,(H,32,34)(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/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/Q2280BR0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)


BindingDB Entry DOI: 10.7270/Q29G5QWG
More data for this
Ligand-Target Pair
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