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Compile Data Set for Download or QSAR

Found 626 hits with Last Name = 'sakamoto' and Initial = 'h'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50372526
PNG
(CHEMBL261646)
Show SMILES CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 16: 2243-60 (2008)


Article DOI: 10.1016/j.bmc.2007.11.073
BindingDB Entry DOI: 10.7270/Q2ZC83QS
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344644
PNG
(8-(2-(diethylamino)ethoxy)-3-ethoxy-6,6-dimethylbe...)
Show SMILES CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
Show InChI InChI=1S/C26H31NO4/c1-6-27(7-2)13-14-30-17-9-11-19-21(15-17)26(4,5)25-23(24(19)28)20-12-10-18(29-8-3)16-22(20)31-25/h9-12,15-16H,6-8,13-14H2,1-5H3
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170n/an/an/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50270656
PNG
(2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
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6.20E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


J Med Chem 51: 3422-36 (2008)


Article DOI: 10.1021/jm701548u
BindingDB Entry DOI: 10.7270/Q2Z89C6Q
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50372526
PNG
(CHEMBL261646)
Show SMILES CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem 16: 2243-60 (2008)


Article DOI: 10.1016/j.bmc.2007.11.073
BindingDB Entry DOI: 10.7270/Q2ZC83QS
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50270656
PNG
(2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
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>6.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin)


J Med Chem 51: 3422-36 (2008)


Article DOI: 10.1021/jm701548u
BindingDB Entry DOI: 10.7270/Q2Z89C6Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50270656
PNG
(2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
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>6.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


J Med Chem 51: 3422-36 (2008)


Article DOI: 10.1021/jm701548u
BindingDB Entry DOI: 10.7270/Q2Z89C6Q
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50372526
PNG
(CHEMBL261646)
Show SMILES CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
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6.70E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem 16: 2243-60 (2008)


Article DOI: 10.1016/j.bmc.2007.11.073
BindingDB Entry DOI: 10.7270/Q2ZC83QS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50372526
PNG
(CHEMBL261646)
Show SMILES CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem 16: 2243-60 (2008)


Article DOI: 10.1016/j.bmc.2007.11.073
BindingDB Entry DOI: 10.7270/Q2ZC83QS
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178978
PNG
(US9126931, 277)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCC(N)CC1)C#N
Show InChI InChI=1S/C24H23BrN4O/c1-24(2)17-11-20(29-7-5-14(27)6-8-29)18(25)10-16(17)22(30)21-15-4-3-13(12-26)9-19(15)28-23(21)24/h3-4,9-11,14,28H,5-8,27H2,1-2H3
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n/an/a 0.168n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179072
PNG
(US9126931, 822)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-8-20(9-13-33)32-10-5-11-32)29(2,3)28-26(27(22)34)21-7-6-18(17-30)14-24(21)31-28/h6-7,14-16,20,31H,4-5,8-13H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179073
PNG
(US9126931, 823)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC(O)CC1
Show InChI InChI=1S/C31H36N4O2/c1-4-20-16-24-25(17-27(20)35-11-7-21(8-12-35)34-13-9-22(36)10-14-34)31(2,3)30-28(29(24)37)23-6-5-19(18-32)15-26(23)33-30/h5-6,15-17,21-22,33,36H,4,7-14H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179071
PNG
(US9126931, 796)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C1CCC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179026
PNG
(US9126931, 543)
Show SMILES CC(C)(C)N1CCN(CC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C21CCOCC1
Show InChI InChI=1S/C29H31BrN4O2/c1-28(2,3)34-10-8-33(9-11-34)24-16-21-20(15-22(24)30)26(35)25-19-5-4-18(17-31)14-23(19)32-27(25)29(21)6-12-36-13-7-29/h4-5,14-16,32H,6-13H2,1-3H3
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n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178992
PNG
(US9126931, 338)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C29H28N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h1,8-9,14-16,20,31H,5-7,10-13H2,2-3H3
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n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99943
PNG
(US8501750, 56)
Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CCc1ccc(F)cc1)c2=O
Show InChI InChI=1S/C31H25FN4O4S/c1-2-23-17-26-28(37)35(16-15-19-9-13-22(32)14-10-19)31(39)36(29(26)41-23)18-20-7-11-21(12-8-20)24-5-3-4-6-25(24)27-33-30(38)40-34-27/h3-14,17H,2,15-16,18H2,1H3,(H,33,34,38)
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179002
PNG
(US9126931, 403)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN4O2/c1-28(2)21-15-24(33-7-5-18(6-8-33)32-9-11-35-12-10-32)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
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n/an/a 0.391n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178997
PNG
(US9126931, 359)
Show SMILES CC(C)OCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C32H34N4O3/c1-20(2)39-13-5-6-22-15-25-26(16-28(22)36-11-9-35(10-12-36)23-18-38-19-23)32(3,4)31-29(30(25)37)24-8-7-21(17-33)14-27(24)34-31/h7-8,14-16,20,23,34H,9-13,18-19H2,1-4H3
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n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179069
PNG
(US9126931, 786)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C29H33N5O2/c1-6-19-14-21-22(15-24(19)33-9-11-34(12-10-33)25(35)17-32(4)5)29(2,3)28-26(27(21)36)20-8-7-18(16-30)13-23(20)31-28/h7-8,13-15,31H,6,9-12,17H2,1-5H3
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n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179033
PNG
(US9126931, 601)
Show SMILES CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(-c3nn[nH]n3)c(O)cc12
Show InChI InChI=1S/C19H14ClN5O2/c1-19(2)12-7-14(26)11(18-22-24-25-23-18)6-10(12)16(27)15-9-4-3-8(20)5-13(9)21-17(15)19/h3-7,21,26H,1-2H3,(H,22,23,24,25)
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n/an/a 0.456n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179083
PNG
(US9126931, 882)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cnc(cc12)N1CCC(CC1)N1CCCCC1)C#N
Show InChI InChI=1S/C28H31N5O/c1-28(2)22-15-24(33-12-8-19(9-13-33)32-10-4-3-5-11-32)30-17-21(22)26(34)25-20-7-6-18(16-29)14-23(20)31-27(25)28/h6-7,14-15,17,19,31H,3-5,8-13H2,1-2H3
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US Patent
n/an/a 0.494n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179000
PNG
(US9126931, 380)
Show SMILES CCN(CC)CCOc1cc2c(cc1C(C)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C27H29N3O3/c1-6-30(7-2)10-11-33-23-14-21-20(13-19(23)16(3)31)25(32)24-18-9-8-17(15-28)12-22(18)29-26(24)27(21,4)5/h8-9,12-14,29H,6-7,10-11H2,1-5H3
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US Patent
n/an/a 0.530n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178993
PNG
(US9126931, 340)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C33H34N4O/c1-33(2)27-19-29(37-15-13-36(14-16-37)24-7-4-8-24)23(11-9-21-5-3-6-21)18-26(27)31(38)30-25-12-10-22(20-34)17-28(25)35-32(30)33/h10,12,17-19,21,24,35H,3-8,13-16H2,1-2H3
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n/an/a 0.580n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179019
PNG
(US9126931, 486)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOC3)c(cc12)N1CCOCC1)C#N
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n/an/a 0.590n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179076
PNG
(US9126931, 832)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCCCO
Show InChI InChI=1S/C29H34N4O2/c1-4-19-15-22-23(16-25(19)33-11-8-20(9-12-33)31-10-5-13-34)29(2,3)28-26(27(22)35)21-7-6-18(17-30)14-24(21)32-28/h6-7,14-16,20,31-32,34H,4-5,8-13H2,1-3H3
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n/an/a 0.600n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179075
PNG
(US9126931, 829)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H37N5O/c1-5-21-17-24-25(18-27(21)36-10-8-22(9-11-36)35-14-12-34(4)13-15-35)31(2,3)30-28(29(24)37)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,5,8-15H2,1-4H3
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n/an/a 0.700n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179030
PNG
(US9126931, 579)
Show SMILES CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4c(F)c(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C26H27FN4O/c1-15(2)30-9-11-31(12-10-30)17-6-8-18-20(13-17)26(3,4)25-21(24(18)32)19-7-5-16(14-28)22(27)23(19)29-25/h5-8,13,15,29H,9-12H2,1-4H3
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n/an/a 0.770n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99950
PNG
(US8501750, 83)
Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C32H25FN4O6S/c1-3-22-15-25-29(39)36(17-27(38)18-10-12-21(42-2)13-11-18)32(41)37(30(25)44-22)16-20-9-8-19(14-26(20)33)23-6-4-5-7-24(23)28-34-31(40)43-35-28/h4-15H,3,16-17H2,1-2H3,(H,34,35,40)
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n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178985
PNG
(US9126931, 304)
Show SMILES Cn1cc(cn1)-c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCOCC1
Show InChI InChI=1S/C27H25N5O2/c1-27(2)21-12-23(32-6-8-34-9-7-32)19(17-14-29-31(3)15-17)11-20(21)25(33)24-18-5-4-16(13-28)10-22(18)30-26(24)27/h4-5,10-12,14-15,30H,6-9H2,1-3H3
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n/an/a 0.810n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179079
PNG
(US9126931, 849)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCC1CC1
Show InChI InChI=1S/C30H34N4O/c1-4-20-14-23-24(15-26(20)34-11-9-21(10-12-34)32-17-18-5-6-18)30(2,3)29-27(28(23)35)22-8-7-19(16-31)13-25(22)33-29/h7-8,13-15,18,21,32-33H,4-6,9-12,17H2,1-3H3
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n/an/a 0.813n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179009
PNG
(US9126931, 429)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1=CCNCC1)C#N
Show InChI InChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3
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n/an/a 0.830n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178963
PNG
(US9126931, 177)
Show SMILES CC(C)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C27H29N3O/c1-16(2)30-11-9-18(10-12-30)19-6-8-20-22(14-19)27(3,4)26-24(25(20)31)21-7-5-17(15-28)13-23(21)29-26/h5-8,13-14,16,18,29H,9-12H2,1-4H3
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n/an/a 0.840n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179027
PNG
(US9126931, 546)
Show SMILES O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(N3CCC(CC3)N3CCCC3)c(cc12)C#N
Show InChI InChI=1S/C31H31N5O2/c32-18-20-3-4-23-26(15-20)34-30-28(23)29(37)24-16-21(19-33)27(17-25(24)31(30)7-13-38-14-8-31)36-11-5-22(6-12-36)35-9-1-2-10-35/h3-4,15-17,22,34H,1-2,5-14H2
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n/an/a 0.860n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178988
PNG
(US9126931, 319)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C31H30N4O2/c1-31(2)25-15-27(35-11-9-34(10-12-35)22-17-37-18-22)21(7-5-19-3-4-19)14-24(25)29(36)28-23-8-6-20(16-32)13-26(23)33-30(28)31/h6,8,13-15,19,22,33H,3-4,9-12,17-18H2,1-2H3
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n/an/a 0.881n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179028
PNG
(US9126931, 550)
Show SMILES CC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCOCC3)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C33H34N4O3/c1-2-3-23-19-26-27(20-29(23)37-10-6-24(7-11-37)36-12-16-40-17-13-36)33(8-14-39-15-9-33)32-30(31(26)38)25-5-4-22(21-34)18-28(25)35-32/h4-5,18-20,24,35H,6-17H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178980
PNG
(US9126931, 286)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H25BrN4O2/c1-26(2)19-11-22(31-7-5-30(6-8-31)16-13-33-14-16)20(27)10-18(19)24(32)23-17-4-3-15(12-28)9-21(17)29-25(23)26/h3-4,9-11,16,29H,5-8,13-14H2,1-2H3
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n/an/a 0.952n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178939
PNG
(US9126931, 109)
Show SMILES C[C@H]1CN(CCN1c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1)C1CCC1
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n/an/a 0.981n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178970
PNG
(US9126931, 226)
Show SMILES CN1CCC(CC1)Oc1cc2c(cc1[N+]([O-])=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C25H24N4O4/c1-25(2)18-12-21(33-15-6-8-28(3)9-7-15)20(29(31)32)11-17(18)23(30)22-16-5-4-14(13-26)10-19(16)27-24(22)25/h4-5,10-12,15,27H,6-9H2,1-3H3
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n/an/a 0.991n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178987
PNG
(US9126931, 314)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CCN3CCN(CC3)C3COC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C36H40N6O3/c1-36(2)30-18-32(42-14-12-41(13-15-42)27-22-45-23-27)25(4-3-7-39-8-10-40(11-9-39)26-20-44-21-26)17-29(30)34(43)33-28-6-5-24(19-37)16-31(28)38-35(33)36/h5-6,16-18,26-27,38H,7-15,20-23H2,1-2H3
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n/an/a 0.996n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99949
PNG
(US8501750, 76)
Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1C)c2=O
Show InChI InChI=1S/C33H28N4O6S/c1-4-23-16-27-30(39)36(18-28(38)24-14-13-22(42-3)15-19(24)2)33(41)37(31(27)44-23)17-20-9-11-21(12-10-20)25-7-5-6-8-26(25)29-34-32(40)43-35-29/h5-16H,4,17-18H2,1-3H3,(H,34,35,40)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99946
PNG
(US8501750, 60)
Show SMILES Fc1cccc(CCn2c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nc(=O)o[nH]3)c3sc(CC(F)(F)F)cc3c2=O)c1
Show InChI InChI=1S/C31H22F4N4O4S/c32-21-5-3-4-18(14-21)12-13-38-27(40)25-15-22(16-31(33,34)35)44-28(25)39(30(38)42)17-19-8-10-20(11-9-19)23-6-1-2-7-24(23)26-36-29(41)43-37-26/h1-11,14-15H,12-13,16-17H2,(H,36,37,41)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99952
PNG
(US8501750, 105)
Show SMILES COc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2F)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
Show InChI InChI=1S/C33H25FN4O6S/c1-43-22-12-10-18(11-13-22)27(39)17-37-30(40)25-15-28(19-6-7-19)45-31(25)38(33(37)42)16-21-9-8-20(14-26(21)34)23-4-2-3-5-24(23)29-35-32(41)44-36-29/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,35,36,41)/p-1
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178995
PNG
(US9126931, 355)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CCCCO)CC1
Show InChI InChI=1S/C30H36N4O2/c1-4-7-21-17-23-24(18-26(21)34-13-11-33(12-14-34)10-5-6-15-35)30(2,3)29-27(28(23)36)22-9-8-20(19-31)16-25(22)32-29/h8-9,16-18,32,35H,4-7,10-15H2,1-3H3
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n/an/a 1.09n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362779
PNG
(CHEMBL1940181 | US9126931, 346)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362778
PNG
(CHEMBL1940182)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99947
PNG
(US8501750, 63)
Show SMILES Fc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
Show InChI InChI=1S/C32H23FN4O5S/c33-22-13-11-20(12-14-22)26(38)17-36-29(39)25-15-27(21-9-10-21)43-30(25)37(32(36)41)16-18-5-7-19(8-6-18)23-3-1-2-4-24(23)28-34-31(40)42-35-28/h1-8,11-15,21H,9-10,16-17H2,(H,34,35,40)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99953
PNG
(US8501750, 107)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
Show InChI InChI=1S/C33H26N4O6S/c1-42-23-6-4-5-22(15-23)27(38)18-36-30(39)26-16-28(21-13-14-21)44-31(26)37(33(36)41)17-19-9-11-20(12-10-19)24-7-2-3-8-25(24)29-34-32(40)43-35-29/h2-12,15-16,21H,13-14,17-18H2,1H3,(H,34,35,40)/p-1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178981
PNG
(US9126931, 290)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1CCS(=O)(=O)CC1)C#N
Show InChI InChI=1S/C28H29BrN4O3S/c1-28(2)21-15-24(33-9-7-32(8-10-33)18-5-11-37(35,36)12-6-18)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
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n/an/a 1.13n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179008
PNG
(US9126931, 426)
Show SMILES CC(C)(O)C#Cc1ccc2c(c1)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C24H20N2O2/c1-23(2,28)10-9-14-6-8-18-17(11-14)21(27)20-16-7-5-15(13-25)12-19(16)26-22(20)24(18,3)4/h5-8,11-12,26,28H,1-4H3
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n/an/a 1.17n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99951
PNG
(US8501750, 99)
Show SMILES COc1ccccc1C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
Show InChI InChI=1S/C33H26N4O6S/c1-42-27-9-5-4-8-24(27)26(38)18-36-30(39)25-16-28(21-14-15-21)44-31(25)37(33(36)41)17-19-10-12-20(13-11-19)22-6-2-3-7-23(22)29-34-32(40)43-35-29/h2-13,16,21H,14-15,17-18H2,1H3,(H,34,35,40)/p-1
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM99961
PNG
(US8501750, 131)
Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C(C)(C)C)c2=O
Show InChI InChI=1S/C29H28N4O5S/c1-5-19-14-22-25(35)32(16-23(34)29(2,3)4)28(37)33(26(22)39-19)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)24-30-27(36)38-31-24/h6-14H,5,15-16H2,1-4H3,(H,30,31,36)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Binding assay using human AT1.


US Patent US8501750 (2013)


BindingDB Entry DOI: 10.7270/Q2F76B5Q
More data for this
Ligand-Target Pair
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