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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'miyawaki' and Initial = 't'   
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
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))
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062810
PNG
(3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CCC(O)=O
Show InChI InChI=1S/C19H23N5O7/c20-17(21)11-1-3-12(4-2-11)18(30)22-9-14(25)24-8-7-23(10-16(28)29)19(31)13(24)5-6-15(26)27/h1-4,13H,5-10H2,(H3,20,21)(H,22,30)(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062797
PNG
(3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...)
Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H25N5O7/c1-32-17(29)7-6-14-20(31)24(11-16(27)28)8-9-25(14)15(26)10-23-19(30)13-4-2-12(3-5-13)18(21)22/h2-5,14H,6-11H2,1H3,(H3,21,22)(H,23,30)(H,27,28)/t14-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062785
PNG
(CHEMBL147976 | {4-[2-(4-Carbamimidoyl-benzoylamino...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)C1
Show InChI InChI=1S/C16H19N5O5/c17-15(18)10-1-3-11(4-2-10)16(26)19-7-12(22)20-5-6-21(9-14(24)25)13(23)8-20/h1-4H,5-9H2,(H3,17,18)(H,19,26)(H,24,25)
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n/an/a 0.420n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062783
PNG
(CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...)
Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068091
PNG
(CHEMBL3402221)
Show SMILES C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H16N2/c1-12-5-4-10-18(12)16-9-8-13(11-17)14-6-2-3-7-15(14)16/h2-3,6-9,12H,4-5,10H2,1H3/t12-/s2
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n/an/a 0.840n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062803
PNG
(3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acety...)
Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1
Show InChI InChI=1S/C21H28N4O7/c1-32-19(29)7-6-16-21(31)24(13-18(27)28)10-11-25(16)17(26)12-23-20(30)15-4-2-14(3-5-15)8-9-22/h2-5,16H,6-13,22H2,1H3,(H,23,30)(H,27,28)/t16-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062789
PNG
(((S)-4-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}...)
Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1
Show InChI InChI=1S/C20H26N4O7/c1-31-18(28)10-15-20(30)23(12-17(26)27)8-9-24(15)16(25)11-22-19(29)14-4-2-13(3-5-14)6-7-21/h2-5,15H,6-12,21H2,1H3,(H,22,29)(H,26,27)/t15-/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062798
PNG
(CHEMBL148010 | {(S)-4-[2-(4-Carbamimidoyl-benzoyla...)
Show SMILES NC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6O6/c19-13(25)7-12-18(30)23(9-15(27)28)5-6-24(12)14(26)8-22-17(29)11-3-1-10(2-4-11)16(20)21/h1-4,12H,5-9H2,(H2,19,25)(H3,20,21)(H,22,29)(H,27,28)/t12-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068096
PNG
(CHEMBL3402227)
Show SMILES N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/s2
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062782
PNG
(3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acety...)
Show SMILES NCCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CCC(O)=O
Show InChI InChI=1S/C20H26N4O7/c21-8-7-13-1-3-14(4-2-13)19(30)22-11-16(25)24-10-9-23(12-18(28)29)20(31)15(24)5-6-17(26)27/h1-4,15H,5-12,21H2,(H,22,30)(H,26,27)(H,28,29)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50422277
PNG
(CHEMBL118402)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C18H21N5O7/c19-16(20)10-1-3-11(4-2-10)17(29)21-8-13(24)23-6-5-22(9-15(27)28)18(30)12(23)7-14(25)26/h1-4,12H,5-9H2,(H3,19,20)(H,21,29)(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068093
PNG
(CHEMBL3402224)
Show SMILES CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C17H18N2/c1-2-14-6-5-11-19(14)17-10-9-13(12-18)15-7-3-4-8-16(15)17/h3-4,7-10,14H,2,5-6,11H2,1H3/t14-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068094
PNG
(CHEMBL3402225)
Show SMILES CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C18H20N2/c1-13(2)17-8-5-11-20(17)18-10-9-14(12-19)15-6-3-4-7-16(15)18/h3-4,6-7,9-10,13,17H,5,8,11H2,1-2H3/t17-/s2
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068101
PNG
(CHEMBL3402232)
Show SMILES C[C@H]1[C@H](CCN1c1ccc(C#N)c2ccccc12)C(C)(C)O |r|
Show InChI InChI=1/C19H22N2O/c1-13-17(19(2,3)22)10-11-21(13)18-9-8-14(12-20)15-6-4-5-7-16(15)18/h4-9,13,17,22H,10-11H2,1-3H3/t13-,17-/s2
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062787
PNG
((4-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}-2-o...)
Show SMILES NCCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)C1
Show InChI InChI=1S/C17H22N4O5/c18-6-5-12-1-3-13(4-2-12)17(26)19-9-14(22)20-7-8-21(11-16(24)25)15(23)10-20/h1-4H,5-11,18H2,(H,19,26)(H,24,25)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062791
PNG
(CHEMBL146393 | {(S)-3-Benzyl-4-[2-(4-carbamimidoyl...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C23H25N5O5/c24-21(25)16-6-8-17(9-7-16)22(32)26-13-19(29)28-11-10-27(14-20(30)31)23(33)18(28)12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H3,24,25)(H,26,32)(H,30,31)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068097
PNG
(CHEMBL3402228)
Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H16N2O/c1-11-16(19)8-9-18(11)15-7-6-12(10-17)13-4-2-3-5-14(13)15/h2-7,11,16,19H,8-9H2,1H3/t11-,16-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068098
PNG
(CHEMBL3402229)
Show SMILES C[C@H]1[C@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H16N2O/c1-11-16(19)8-9-18(11)15-7-6-12(10-17)13-4-2-3-5-14(13)15/h2-7,11,16,19H,8-9H2,1H3/t11-,16+/s2
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062781
PNG
(((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}...)
Show SMILES NCCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C19H24N4O7/c20-6-5-12-1-3-13(4-2-12)18(29)21-10-15(24)23-8-7-22(11-17(27)28)19(30)14(23)9-16(25)26/h1-4,14H,5-11,20H2,(H,21,29)(H,25,26)(H,27,28)/t14-/m0/s1
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415098
PNG
(CHEMBL570898)
Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068100
PNG
(CHEMBL3402231)
Show SMILES C[C@H]1[C@@H](CO)CCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C17H18N2O/c1-12-14(11-20)8-9-19(12)17-7-6-13(10-18)15-4-2-3-5-16(15)17/h2-7,12,14,20H,8-9,11H2,1H3/t12-,14+/s2
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062801
PNG
(CHEMBL356363 | {(S)-4-Carboxymethyl-1-[2-(4-guanid...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#6@@H]-1-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C18H22N6O7/c19-18(20)22-11-3-1-10(2-4-11)16(30)21-8-13(25)24-6-5-23(9-15(28)29)17(31)12(24)7-14(26)27/h1-4,12H,5-9H2,(H,21,30)(H,26,27)(H,28,29)(H4,19,20,22)/t12-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062800
PNG
((S)-2-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-ace...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN([C@@H](Cc2ccccc2)C(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H27N5O7/c26-22(27)16-6-8-17(9-7-16)23(34)28-14-20(31)29-10-11-30(24(35)18(29)13-21(32)33)19(25(36)37)12-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2,(H3,26,27)(H,28,34)(H,32,33)(H,36,37)/t18-,19?/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068089
PNG
(CHEMBL3402223)
Show SMILES CC1(C)CCCN1c1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068102
PNG
(CHEMBL3402233)
Show SMILES COC(=O)[C@H]1CCN([C@H]1C)c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C18H18N2O2/c1-12-14(18(21)22-2)9-10-20(12)17-8-7-13(11-19)15-5-3-4-6-16(15)17/h3-8,12,14H,9-10H2,1-2H3/t12-,14-/s2
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n/an/a 7.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062804
PNG
(((S)-1-{2-[2-(4-Carbamimidoyl-phenyl)-acetylamino]...)
Show SMILES NC(=N)c1ccc(CC(=O)NCC(=O)N2CCN(CC(O)=O)C(=O)[C@@H]2CC(O)=O)cc1
Show InChI InChI=1S/C19H23N5O7/c20-18(21)12-3-1-11(2-4-12)7-14(25)22-9-15(26)24-6-5-23(10-17(29)30)19(31)13(24)8-16(27)28/h1-4,13H,5-10H2,(H3,20,21)(H,22,25)(H,27,28)(H,29,30)/t13-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062806
PNG
(((S)-1-{2-[4-(3-Amino-propyl)-benzoylamino]-acetyl...)
Show SMILES NCCCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C20H26N4O7/c21-7-1-2-13-3-5-14(6-4-13)19(30)22-11-16(25)24-9-8-23(12-18(28)29)20(31)15(24)10-17(26)27/h3-6,15H,1-2,7-12,21H2,(H,22,30)(H,26,27)(H,28,29)/t15-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062807
PNG
(CHEMBL146417 | {(R)-4-[2-(4-Carbamimidoyl-benzoyla...)
Show SMILES COC(=O)C[C@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062808
PNG
(CHEMBL147921 | {(S)-4-Carboxymethyl-1-[2-(4-guanid...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C19H24N6O7/c20-19(21)23-8-11-1-3-12(4-2-11)17(31)22-9-14(26)25-6-5-24(10-16(29)30)18(32)13(25)7-15(27)28/h1-4,13H,5-10H2,(H,22,31)(H,27,28)(H,29,30)(H4,20,21,23)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062802
PNG
(CHEMBL149424 | {(S)-1-[2-(4-Aminomethyl-benzoylami...)
Show SMILES NCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C18H22N4O7/c19-8-11-1-3-12(4-2-11)17(28)20-9-14(23)22-6-5-21(10-16(26)27)18(29)13(22)7-15(24)25/h1-4,13H,5-10,19H2,(H,20,28)(H,24,25)(H,26,27)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062794
PNG
(CHEMBL341673 | {(S)-1-[2-(4-Carbamimidoyl-benzoyla...)
Show SMILES COC(=O)CN1CCN([C@@H](CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O7/c1-31-16(28)10-23-6-7-24(13(19(23)30)8-15(26)27)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062790
PNG
(((S)-4-Carboxymethyl-1-{2-[(4-guanidinomethyl-cycl...)
Show SMILES NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O |wD:27.29,(-3.9,-10.25,;-2.57,-11.02,;-2.57,-12.56,;-1.23,-10.25,;.1,-11.02,;1.43,-10.25,;1.45,-8.71,;2.76,-7.94,;4.09,-8.73,;4.11,-10.27,;2.76,-11.04,;5.44,-7.94,;5.42,-6.42,;6.77,-8.73,;8.1,-7.94,;9.43,-8.73,;9.43,-10.27,;10.76,-7.94,;10.76,-6.42,;12.09,-5.63,;13.42,-6.42,;14.75,-5.65,;16.08,-6.42,;17.43,-5.65,;16.08,-7.96,;13.42,-7.94,;14.75,-8.73,;12.09,-8.71,;12.09,-10.25,;13.42,-11.02,;13.42,-12.56,;14.75,-10.25,)|
Show InChI InChI=1S/C19H30N6O7/c20-19(21)23-8-11-1-3-12(4-2-11)17(31)22-9-14(26)25-6-5-24(10-16(29)30)18(32)13(25)7-15(27)28/h11-13H,1-10H2,(H,22,31)(H,27,28)(H,29,30)(H4,20,21,23)/t11?,12?,13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068090
PNG
(CHEMBL3402222)
Show SMILES C[C@@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H16N2/c1-12-5-4-10-18(12)16-9-8-13(11-17)14-6-2-3-7-15(14)16/h2-3,6-9,12H,4-5,10H2,1H3/t12-/s2
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062805
PNG
(((S)-1-{2-[(1-Carbamimidoyl-piperidine-4-carbonyl)...)
Show SMILES NC(=N)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C17H26N6O7/c18-17(19)21-3-1-10(2-4-21)15(29)20-8-12(24)23-6-5-22(9-14(27)28)16(30)11(23)7-13(25)26/h10-11H,1-9H2,(H3,18,19)(H,20,29)(H,25,26)(H,27,28)/t11-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062783
PNG
(CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...)
Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50372527
PNG
(CHEMBL270527)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2
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n/an/a 33n/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
Androgen Receptor


(Homo sapiens (Human))
BDBM50068095
PNG
(CHEMBL3402226)
Show SMILES NC(=O)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H15N3O/c17-10-11-7-8-14(13-5-2-1-4-12(11)13)19-9-3-6-15(19)16(18)20/h1-2,4-5,7-8,15H,3,6,9H2,(H2,18,20)/t15-/s2
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062792
PNG
(3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-et...)
Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN(C)C)cc1
Show InChI InChI=1S/C23H32N4O7/c1-25(2)11-10-16-4-6-17(7-5-16)22(32)24-14-19(28)27-13-12-26(15-20(29)30)23(33)18(27)8-9-21(31)34-3/h4-7,18H,8-15H2,1-3H3,(H,24,32)(H,29,30)/t18-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068099
PNG
(CHEMBL3402230)
Show SMILES C[C@@H]1N(CCC1=O)c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H14N2O/c1-11-16(19)8-9-18(11)15-7-6-12(10-17)13-4-2-3-5-14(13)15/h2-7,11H,8-9H2,1H3/t11-/s2
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n/an/a 37n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50372541
PNG
(CHEMBL401529)
Show SMILES CCOC(=O)CCN(C1CCN(CC1)c1ccncc1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C28H32ClN3O5S/c1-2-37-28(34)11-17-32(25-9-15-31(16-10-25)24-7-13-30-14-8-24)27(33)12-18-38(35,36)26-6-4-21-19-23(29)5-3-22(21)20-26/h3-8,13-14,19-20,25H,2,9-12,15-18H2,1H3
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n/an/a 37n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062795
PNG
(3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-et...)
Show SMILES CN(C)CCc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CCC(O)=O
Show InChI InChI=1S/C22H30N4O7/c1-24(2)10-9-15-3-5-16(6-4-15)21(32)23-13-18(27)26-12-11-25(14-20(30)31)22(33)17(26)7-8-19(28)29/h3-6,17H,7-14H2,1-2H3,(H,23,32)(H,28,29)(H,30,31)/t17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062812
PNG
(CHEMBL356739 | {(S)-4-Carboxymethyl-1-[2-(5-guanid...)
Show SMILES NC(=N)NCCCCC(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C16H26N6O7/c17-16(18)19-4-2-1-3-11(23)20-8-12(24)22-6-5-21(9-14(27)28)15(29)10(22)7-13(25)26/h10H,1-9H2,(H,20,23)(H,25,26)(H,27,28)(H4,17,18,19)/t10-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50372548
PNG
(CHEMBL271991)
Show SMILES CN(C1CCN(CC1)c1ccncc1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN3O3S/c1-27(21-8-13-28(14-9-21)22-6-11-26-12-7-22)24(29)10-15-32(30,31)23-5-3-18-16-20(25)4-2-19(18)17-23/h2-7,11-12,16-17,21H,8-10,13-15H2,1H3
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n/an/a 50n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062810
PNG
(3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CCC(O)=O
Show InChI InChI=1S/C19H23N5O7/c20-17(21)11-1-3-12(4-2-11)18(30)22-9-14(25)24-8-7-23(10-16(28)29)19(31)13(24)5-6-15(26)27/h1-4,13H,5-10H2,(H3,20,21)(H,22,30)(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062783
PNG
(CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...)
Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
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