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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'asari' 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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064943
PNG
((1-{3-[2-Fluoro-4-(imino-thiazolidin-3-yl-methyl)-...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCSC1
Show InChI InChI=1S/C27H39FN4O4S/c1-5-22(27(3,4)26(35)31-11-9-18(10-12-31)15-23(33)36-6-2)30-25(34)20-8-7-19(16-21(20)28)24(29)32-13-14-37-17-32/h7-8,16,18,22,29H,5-6,9-15,17H2,1-4H3,(H,30,34)
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n/an/a 2.30n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064930
PNG
(CHEMBL77113 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(O)c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-12-10-16(11-13-30)14-21(32)33)22(19-4-3-5-20(31)15-19)29-24(34)18-8-6-17(7-9-18)23(27)28/h3-9,15-16,22,31H,10-14H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)
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n/an/a 2.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064941
PNG
(CHEMBL78295 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)
Show SMILES CCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H31FN4O4/c1-4-17(26-20(30)15-6-5-14(19(24)25)12-16(15)23)22(2,3)21(31)27-9-7-13(8-10-27)11-18(28)29/h5-6,12-13,17H,4,7-11H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064942
PNG
(CHEMBL74908 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H36N4O4/c1-15(2)13-19(27-22(31)18-7-5-17(6-8-18)21(25)26)24(3,4)23(32)28-11-9-16(10-12-28)14-20(29)30/h5-8,15-16,19H,9-14H2,1-4H3,(H3,25,26)(H,27,31)(H,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064935
PNG
(CHEMBL312368 | {1-[3-(4-Carbamimidoyl-2-fluoro-ben...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(N)=N
Show InChI InChI=1S/C24H35FN4O4/c1-5-19(28-22(31)17-8-7-16(21(26)27)14-18(17)25)24(3,4)23(32)29-11-9-15(10-12-29)13-20(30)33-6-2/h7-8,14-15,19H,5-6,9-13H2,1-4H3,(H3,26,27)(H,28,31)
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n/an/a 2.70n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064922
PNG
(CHEMBL432915 | {1-[3-(4-Carbamimidoyl-benzoylamino...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H36N4O4/c1-4-5-6-19(27-22(31)18-9-7-17(8-10-18)21(25)26)24(2,3)23(32)28-13-11-16(12-14-28)15-20(29)30/h7-10,16,19H,4-6,11-15H2,1-3H3,(H3,25,26)(H,27,31)(H,29,30)
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n/an/a 3.80n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064920
PNG
((1-{3-[2-Fluoro-4-(imino-morpholin-4-yl-methyl)-be...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCOCC1
Show InChI InChI=1S/C28H41FN4O5/c1-5-23(28(3,4)27(36)33-11-9-19(10-12-33)17-24(34)38-6-2)31-26(35)21-8-7-20(18-22(21)29)25(30)32-13-15-37-16-14-32/h7-8,18-19,23,30H,5-6,9-17H2,1-4H3,(H,31,35)
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n/an/a 4n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064938
PNG
(CHEMBL77635 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)
Show SMILES CC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H29FN4O4/c1-12(25-19(29)15-5-4-14(18(23)24)11-16(15)22)21(2,3)20(30)26-8-6-13(7-9-26)10-17(27)28/h4-5,11-13H,6-10H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)
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n/an/a 4.30n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064926
PNG
(CHEMBL77404 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H32N4O4/c1-4-17(25-20(29)16-7-5-15(6-8-16)19(23)24)22(2,3)21(30)26-11-9-14(10-12-26)13-18(27)28/h5-8,14,17H,4,9-13H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064921
PNG
(CHEMBL75645 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H34N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h6-9,15,18H,4-5,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)
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n/an/a 5.10n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064927
PNG
(CHEMBL76845 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H30N4O4/c1-13(24-19(28)16-6-4-15(5-7-16)18(22)23)21(2,3)20(29)25-10-8-14(9-11-25)12-17(26)27/h4-7,13-14H,8-12H2,1-3H3,(H3,22,23)(H,24,28)(H,26,27)
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n/an/a 5.30n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064928
PNG
(CHEMBL78119 | [1-(3-{2-Fluoro-4-[imino-(4-methyl-p...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1
Show InChI InChI=1S/C29H44FN5O4/c1-6-24(29(3,4)28(38)35-12-10-20(11-13-35)18-25(36)39-7-2)32-27(37)22-9-8-21(19-23(22)30)26(31)34-16-14-33(5)15-17-34/h8-9,19-20,24,31H,6-7,10-18H2,1-5H3,(H,32,37)
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n/an/a 5.40n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064931
PNG
(CHEMBL75623 | {1-[3-(2-Fluoro-4-{[4-(4-fluoro-phen...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C34H45F2N5O4/c1-5-29(34(3,4)33(44)41-15-13-23(14-16-41)21-30(42)45-6-2)38-32(43)27-12-7-24(22-28(27)36)31(37)40-19-17-39(18-20-40)26-10-8-25(35)9-11-26/h7-12,22-23,29,37H,5-6,13-21H2,1-4H3,(H,38,43)
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n/an/a 5.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064917
PNG
(CHEMBL74553 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H35FN4O4/c1-4-5-6-19(28-22(32)17-8-7-16(21(26)27)14-18(17)25)24(2,3)23(33)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15,19H,4-6,9-13H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31)
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n/an/a 5.70n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064918
PNG
(CHEMBL76882 | [1-(3-{2-Fluoro-4-[(4-hydroxy-piperi...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCC(O)CC1
Show InChI InChI=1S/C29H43FN4O5/c1-5-24(29(3,4)28(38)34-13-9-19(10-14-34)17-25(36)39-6-2)32-27(37)22-8-7-20(18-23(22)30)26(31)33-15-11-21(35)12-16-33/h7-8,18-19,21,24,31,35H,5-6,9-17H2,1-4H3,(H,32,37)
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n/an/a 5.80n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064939
PNG
((1-{3-[2-Fluoro-4-(imino-pyrrolidin-1-yl-methyl)-b...)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCCC1
Show InChI InChI=1S/C28H41FN4O4/c1-5-23(28(3,4)27(36)33-15-11-19(12-16-33)17-24(34)37-6-2)31-26(35)21-10-9-20(18-22(21)29)25(30)32-13-7-8-14-32/h9-10,18-19,23,30H,5-8,11-17H2,1-4H3,(H,31,35)
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n/an/a 7n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064934
PNG
(CHEMBL76851 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H34N4O4/c1-14(2)19(26-21(30)17-7-5-16(6-8-17)20(24)25)23(3,4)22(31)27-11-9-15(10-12-27)13-18(28)29/h5-8,14-15,19H,9-13H2,1-4H3,(H3,24,25)(H,26,30)(H,28,29)
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n/an/a 8.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064919
PNG
(CHEMBL76960 | {1-[(E)-3-(4-Carbamimidoyl-benzoylam...)
Show SMILES C\C=C\C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H32N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h4-9,15,18H,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/b5-4+
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n/an/a 13n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064932
PNG
(CHEMBL76555 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc2ccccc2c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C30H34N4O4/c1-30(2,29(38)34-15-13-19(14-16-34)17-25(35)36)26(24-12-7-20-5-3-4-6-23(20)18-24)33-28(37)22-10-8-21(9-11-22)27(31)32/h3-12,18-19,26H,13-17H2,1-2H3,(H3,31,32)(H,33,37)(H,35,36)
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n/an/a 21n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064914
PNG
((1-{3-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-2,2...)
Show SMILES CN(C(c1ccccc1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H34N4O4/c1-27(2,26(35)31-15-13-18(14-16-31)17-22(32)33)23(19-7-5-4-6-8-19)30(3)25(34)21-11-9-20(10-12-21)24(28)29/h4-12,18,23H,13-17H2,1-3H3,(H3,28,29)(H,32,33)
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n/an/a 21.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064937
PNG
(CHEMBL306374 | {1-[3-(4-Carbamimidoyl-benzoylamino...)
Show SMILES CCCCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-7-20(28-23(32)19-10-8-18(9-11-19)22(26)27)25(2,3)24(33)29-14-12-17(13-15-29)16-21(30)31/h8-11,17,20H,4-7,12-16H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31)
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n/an/a 22.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064923
PNG
(CHEMBL77192 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc(O)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-13-11-16(12-14-30)15-21(32)33)22(17-7-9-20(31)10-8-17)29-24(34)19-5-3-18(4-6-19)23(27)28/h3-10,16,22,31H,11-15H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)
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n/an/a 23.7n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064924
PNG
(CHEMBL416682 | {1-[3-(4-Carbamimidoyl-benzoylamino...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O4/c1-26(2,25(34)30-14-12-17(13-15-30)16-21(31)32)22(18-6-4-3-5-7-18)29-24(33)20-10-8-19(9-11-20)23(27)28/h3-11,17,22H,12-16H2,1-2H3,(H3,27,28)(H,29,33)(H,31,32)
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n/an/a 25.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064940
PNG
(CHEMBL77747 | {1-[3-(4-Carbamimidoyl-2-chloro-benz...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1Cl)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(17-6-4-3-5-7-17)30-24(34)19-9-8-18(23(28)29)15-20(19)27/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)
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n/an/a 27.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064915
PNG
(CHEMBL306558 | {1-[3-(4-Carbamimidoyl-benzoylamino...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(Cl)c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(19-4-3-5-20(27)15-19)30-24(34)18-8-6-17(7-9-18)23(28)29/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)
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n/an/a 31.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064929
PNG
(CHEMBL73865 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc(Cl)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-13-11-16(12-14-31)15-21(32)33)22(17-7-9-20(27)10-8-17)30-24(34)19-5-3-18(4-6-19)23(28)29/h3-10,16,22H,11-15H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)
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n/an/a 34.7n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064936
PNG
(CHEMBL63360 | {1-[(E)-5-(4-Carbamimidoyl-phenyl)-2...)
Show SMILES CC(C)(\C=C\C(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-8-14(9-12-24)13-18(26)27)10-7-17(25)15-3-5-16(6-4-15)19(22)23/h3-7,10,14H,8-9,11-13H2,1-2H3,(H3,22,23)(H,26,27)/b10-7+
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n/an/a 36n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064925
PNG
(CHEMBL76668 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C28H36N4O4/c1-28(2,27(36)32-16-14-20(15-17-32)18-24(33)34)23(13-8-19-6-4-3-5-7-19)31-26(35)22-11-9-21(10-12-22)25(29)30/h3-7,9-12,20,23H,8,13-18H2,1-2H3,(H3,29,30)(H,31,35)(H,33,34)
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n/an/a 47.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064933
PNG
(CHEMBL68074 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)
Show SMILES CC(C)(CNC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C20H28N4O4/c1-20(2,19(28)24-9-7-13(8-10-24)11-16(25)26)12-23-18(27)15-5-3-14(4-6-15)17(21)22/h3-6,13H,7-12H2,1-2H3,(H3,21,22)(H,23,27)(H,25,26)
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n/an/a 125n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50525413
PNG
(CHEMBL4448117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay


ACS Med Chem Lett 10: 985-990 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00174
BindingDB Entry DOI: 10.7270/Q2V1287X
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50254771
PNG
(CHEMBL4061416)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C139H225N41O33/c1-16-73(10)108(131(208)166-94(50-53-104(143)186)123(200)177-112(77(14)20-5)134(211)179-111(76(13)19-4)133(210)174-102(69-182)129(206)161-88(37-25-27-55-140)117(194)169-97(62-72(8)9)124(201)160-90(40-30-58-155-137(148)149)116(193)168-96(114(145)191)61-71(6)7)175-121(198)89(38-26-28-56-141)164-130(207)110(75(12)18-3)178-126(203)99(65-82-67-158-86-36-24-23-35-85(82)86)171-120(197)95(51-54-107(189)190)167-132(209)109(74(11)17-2)176-122(199)92(42-32-60-157-139(152)153)162-128(205)101(68-181)173-125(202)98(63-79-43-46-83(184)47-44-79)170-118(195)91(41-31-59-156-138(150)151)165-135(212)113(78(15)183)180-127(204)100(66-105(144)187)172-119(196)93(49-52-103(142)185)163-115(192)87(39-29-57-154-136(146)147)159-106(188)70-213-84-48-45-80-33-21-22-34-81(80)64-84/h21-24,33-36,43-48,64,67,71-78,87-102,108-113,158,181-184H,16-20,25-32,37-42,49-63,65-66,68-70,140-141H2,1-15H3,(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,191)(H,159,188)(H,160,201)(H,161,206)(H,162,205)(H,163,192)(H,164,207)(H,165,212)(H,166,208)(H,167,209)(H,168,193)(H,169,194)(H,170,195)(H,171,197)(H,172,196)(H,173,202)(H,174,210)(H,175,198)(H,176,199)(H,177,200)(H,178,203)(H,179,211)(H,180,204)(H,189,190)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t73-,74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-,113-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay


ACS Med Chem Lett 10: 985-990 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00174
BindingDB Entry DOI: 10.7270/Q2V1287X
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50254771
PNG
(CHEMBL4061416)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C139H225N41O33/c1-16-73(10)108(131(208)166-94(50-53-104(143)186)123(200)177-112(77(14)20-5)134(211)179-111(76(13)19-4)133(210)174-102(69-182)129(206)161-88(37-25-27-55-140)117(194)169-97(62-72(8)9)124(201)160-90(40-30-58-155-137(148)149)116(193)168-96(114(145)191)61-71(6)7)175-121(198)89(38-26-28-56-141)164-130(207)110(75(12)18-3)178-126(203)99(65-82-67-158-86-36-24-23-35-85(82)86)171-120(197)95(51-54-107(189)190)167-132(209)109(74(11)17-2)176-122(199)92(42-32-60-157-139(152)153)162-128(205)101(68-181)173-125(202)98(63-79-43-46-83(184)47-44-79)170-118(195)91(41-31-59-156-138(150)151)165-135(212)113(78(15)183)180-127(204)100(66-105(144)187)172-119(196)93(49-52-103(142)185)163-115(192)87(39-29-57-154-136(146)147)159-106(188)70-213-84-48-45-80-33-21-22-34-81(80)64-84/h21-24,33-36,43-48,64,67,71-78,87-102,108-113,158,181-184H,16-20,25-32,37-42,49-63,65-66,68-70,140-141H2,1-15H3,(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,191)(H,159,188)(H,160,201)(H,161,206)(H,162,205)(H,163,192)(H,164,207)(H,165,212)(H,166,208)(H,167,209)(H,168,193)(H,169,194)(H,170,195)(H,171,197)(H,172,196)(H,173,202)(H,174,210)(H,175,198)(H,176,199)(H,177,200)(H,178,203)(H,179,211)(H,180,204)(H,189,190)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t73-,74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-,113-/m0/s1
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UniProtKB/SwissProt

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PubMed
n/an/a 320n/an/an/an/an/an/a



Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay


ACS Med Chem Lett 8: 751-756 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00168
BindingDB Entry DOI: 10.7270/Q2QC05ZJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064916
PNG
((1-{3-[(4-Carbamimidoyl-benzoyl)-prop-2-ynyl-amino...)
Show SMILES CCCCC(N(CC#C)C(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H38N4O4/c1-5-7-8-22(27(3,4)26(35)30-16-13-19(14-17-30)18-23(32)33)31(15-6-2)25(34)21-11-9-20(10-12-21)24(28)29/h2,9-12,19,22H,5,7-8,13-18H2,1,3-4H3,(H3,28,29)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
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UniChem

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PubMed
n/an/a 363n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50206029
PNG
(CHEMBL3892004)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C131H220N40O33/c1-17-69(11)101(123(199)156-82(34-24-26-52-133)114(190)168-102(70(12)18-2)124(200)158-87(46-49-97(135)177)116(192)170-104(72(14)20-4)126(202)164-91(59-68(9)10)118(194)165-94(63-172)121(197)153-81(33-23-25-51-132)111(187)161-90(58-67(7)8)117(193)152-83(36-28-54-147-129(140)141)110(186)160-89(106(137)182)57-66(5)6)167-107(183)73(15)150-108(184)88(47-50-100(180)181)159-125(201)103(71(13)19-3)169-115(191)85(38-30-56-149-131(144)145)154-122(198)95(64-173)166-119(195)92(60-75-39-42-78(175)43-40-75)162-112(188)84(37-29-55-148-130(142)143)157-127(203)105(74(16)174)171-120(196)93(62-98(136)178)163-113(189)86(45-48-96(134)176)155-109(185)80(35-27-53-146-128(138)139)151-99(179)65-204-79-44-41-76-31-21-22-32-77(76)61-79/h21-22,31-32,39-44,61,66-74,80-95,101-105,172-175H,17-20,23-30,33-38,45-60,62-65,132-133H2,1-16H3,(H2,134,176)(H2,135,177)(H2,136,178)(H2,137,182)(H,150,184)(H,151,179)(H,152,193)(H,153,197)(H,154,198)(H,155,185)(H,156,199)(H,157,203)(H,158,200)(H,159,201)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,202)(H,165,194)(H,166,195)(H,167,183)(H,168,190)(H,169,191)(H,170,192)(H,171,196)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-,105-/m0/s1
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay


ACS Med Chem Lett 8: 751-756 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00168
BindingDB Entry DOI: 10.7270/Q2QC05ZJ
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50206029
PNG
(CHEMBL3892004)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C131H220N40O33/c1-17-69(11)101(123(199)156-82(34-24-26-52-133)114(190)168-102(70(12)18-2)124(200)158-87(46-49-97(135)177)116(192)170-104(72(14)20-4)126(202)164-91(59-68(9)10)118(194)165-94(63-172)121(197)153-81(33-23-25-51-132)111(187)161-90(58-67(7)8)117(193)152-83(36-28-54-147-129(140)141)110(186)160-89(106(137)182)57-66(5)6)167-107(183)73(15)150-108(184)88(47-50-100(180)181)159-125(201)103(71(13)19-3)169-115(191)85(38-30-56-149-131(144)145)154-122(198)95(64-173)166-119(195)92(60-75-39-42-78(175)43-40-75)162-112(188)84(37-29-55-148-130(142)143)157-127(203)105(74(16)174)171-120(196)93(62-98(136)178)163-113(189)86(45-48-96(134)176)155-109(185)80(35-27-53-146-128(138)139)151-99(179)65-204-79-44-41-76-31-21-22-32-77(76)61-79/h21-22,31-32,39-44,61,66-74,80-95,101-105,172-175H,17-20,23-30,33-38,45-60,62-65,132-133H2,1-16H3,(H2,134,176)(H2,135,177)(H2,136,178)(H2,137,182)(H,150,184)(H,151,179)(H,152,193)(H,153,197)(H,154,198)(H,155,185)(H,156,199)(H,157,203)(H,158,200)(H,159,201)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,202)(H,165,194)(H,166,195)(H,167,183)(H,168,190)(H,169,191)(H,170,192)(H,171,196)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-,105-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myostatin expressed in HEK293 cells after 4 hrs by SBE4 based luciferase reporter gene assay


ACS Med Chem Lett 8: 113-117 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00420
BindingDB Entry DOI: 10.7270/Q2MG7RHH
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50071380
PNG
(CHEMBL3410232)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
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UniProtKB/SwissProt

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Article
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n/an/a 3.56E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay


ACS Med Chem Lett 8: 751-756 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00168
BindingDB Entry DOI: 10.7270/Q2QC05ZJ
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50071379
PNG
(CHEMBL3410227)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myostatin pre-incubated with compound for 1 hr before addition to human HepG2 cells assessed as reduction in myostati...


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Homo sapiens (Human))
BDBM50049424
PNG
(CHEMBL3315348)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r|
Show InChI InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a


TBA

Assay Description
Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127436
BindingDB Entry DOI: 10.7270/Q2QC077Z
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Homo sapiens (Human))
BDBM50560261
PNG
(CHEMBL4757331)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc2ccccc2c1)C(N)=O |r|
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UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
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n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127436
BindingDB Entry DOI: 10.7270/Q2QC077Z
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Homo sapiens (Human))
BDBM50560260
PNG
(CHEMBL4798983)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r|
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UniProtKB/SwissProt

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n/an/an/an/a 3.20n/an/an/an/a


TBA

Assay Description
Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127436
BindingDB Entry DOI: 10.7270/Q2QC077Z
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50071381
PNG
(CHEMBL3410234)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C119H212N40O31/c1-17-61(11)89(111(186)144-71(31-22-24-46-121)102(177)156-90(62(12)18-2)112(187)146-76(40-43-86(124)165)104(179)158-92(64(14)20-4)114(189)152-80(53-60(9)10)106(181)153-83(56-160)109(184)142-70(30-21-23-45-120)99(174)149-79(52-59(7)8)105(180)141-72(32-26-48-136-117(129)130)98(173)148-78(94(126)169)51-58(5)6)155-95(170)65(15)139-97(172)77(41-44-88(167)168)147-113(188)91(63(13)19-3)157-103(178)74(34-28-50-138-119(133)134)143-110(185)84(57-161)154-107(182)81(54-67-35-37-68(163)38-36-67)150-100(175)73(33-27-49-137-118(131)132)145-115(190)93(66(16)162)159-108(183)82(55-87(125)166)151-101(176)75(39-42-85(123)164)140-96(171)69(122)29-25-47-135-116(127)128/h35-38,58-66,69-84,89-93,160-163H,17-34,39-57,120-122H2,1-16H3,(H2,123,164)(H2,124,165)(H2,125,166)(H2,126,169)(H,139,172)(H,140,171)(H,141,180)(H,142,184)(H,143,185)(H,144,186)(H,145,190)(H,146,187)(H,147,188)(H,148,173)(H,149,174)(H,150,175)(H,151,176)(H,152,189)(H,153,181)(H,154,182)(H,155,170)(H,156,177)(H,157,178)(H,158,179)(H,159,183)(H,167,168)(H4,127,128,135)(H4,129,130,136)(H4,131,132,137)(H4,133,134,138)/t61-,62-,63-,64-,65-,66+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-,90-,91-,92-,93-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 117n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50071380
PNG
(CHEMBL3410232)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 30n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50071379
PNG
(CHEMBL3410227)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 36n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50560260
PNG
(CHEMBL4798983)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127436
BindingDB Entry DOI: 10.7270/Q2QC077Z
More data for this
Ligand-Target Pair