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PubMed code 10853647

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
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))
BDBM50421472
PNG
(CHEMBL352388)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCSC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H35FN4O4S/c1-4-20(25(2,3)24(34)29-9-7-16(8-10-29)13-21(31)32)28-23(33)18-6-5-17(14-19(18)26)22(27)30-11-12-35-15-30/h5-6,14,16,20,27H,4,7-13,15H2,1-3H3,(H,28,33)(H,31,32)/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421428
PNG
(CHEMBL169928)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCC(O)CC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H39FN4O5/c1-4-22(27(2,3)26(37)32-11-7-17(8-12-32)15-23(34)35)30-25(36)20-6-5-18(16-21(20)28)24(29)31-13-9-19(33)10-14-31/h5-6,16-17,19,22,29,33H,4,7-15H2,1-3H3,(H,30,36)(H,34,35)/t22-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421439
PNG
(CHEMBL424205)
Show SMILES CC[C@@H](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)/t17-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421450
PNG
(CHEMBL353902)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H40FN5O4/c1-5-22(27(2,3)26(37)33-10-8-18(9-11-33)16-23(34)35)30-25(36)20-7-6-19(17-21(20)28)24(29)32-14-12-31(4)13-15-32/h6-7,17-18,22,29H,5,8-16H2,1-4H3,(H,30,36)(H,34,35)/t22-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421447
PNG
(CHEMBL169139)
Show SMILES CCCC[C@@H](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)/t19-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421436
PNG
(CHEMBL168328)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421444
PNG
(CHEMBL172627)
Show SMILES C[C@@H](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)/t12-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421481
PNG
(CHEMBL169819)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCN(CC1)c1ccc(F)cc1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C32H41F2N5O4/c1-4-27(32(2,3)31(43)39-13-11-21(12-14-39)19-28(40)41)36-30(42)25-10-5-22(20-26(25)34)29(35)38-17-15-37(16-18-38)24-8-6-23(33)7-9-24/h5-10,20-21,27,35H,4,11-19H2,1-3H3,(H,36,42)(H,40,41)/t27-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421467
PNG
(CHEMBL170607)
Show SMILES CCC[C@@H](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)/t18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421459
PNG
(CHEMBL172679)
Show SMILES CC(C)C[C@@H](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)/t19-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421487
PNG
(CHEMBL169585)
Show SMILES C[C@@H](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)/t13-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421464
PNG
(CHEMBL169547)
Show SMILES CCCC[C@@H](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)/t19-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421437
PNG
(CHEMBL169493)
Show SMILES CC[C@@H](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)/t17-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421443
PNG
(CHEMBL169215)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCCC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H37FN4O4/c1-4-21(26(2,3)25(35)31-13-9-17(10-14-31)15-22(32)33)29-24(34)19-8-7-18(16-20(19)27)23(28)30-11-5-6-12-30/h7-8,16-17,21,28H,4-6,9-15H2,1-3H3,(H,29,34)(H,32,33)/t21-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421429
PNG
(CHEMBL172100)
Show SMILES CC(C)[C@@H](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)/t19-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421476
PNG
(CHEMBL171831)
Show SMILES CCCCC[C@@H](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)/t20-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421480
PNG
(CHEMBL354325)
Show SMILES CC(C)([C@@H](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)/t23-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421456
PNG
(CHEMBL169671)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCOCC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H37FN4O5/c1-4-21(26(2,3)25(35)31-9-7-17(8-10-31)15-22(32)33)29-24(34)19-6-5-18(16-20(19)27)23(28)30-11-13-36-14-12-30/h5-6,16-17,21,28H,4,7-15H2,1-3H3,(H,29,34)(H,32,33)/t21-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421475
PNG
(CHEMBL171053)
Show SMILES C\C=C\[C@@H](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+/t18-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421448
PNG
(CHEMBL172270)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421457
PNG
(CHEMBL169984)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421442
PNG
(CHEMBL431177)
Show SMILES COC(\C=C\c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H31N3O4/c1-22(2,21(28)25-12-10-16(11-13-25)14-19(26)27)18(29-3)9-6-15-4-7-17(8-5-15)20(23)24/h4-9,16,18H,10-14H2,1-3H3,(H3,23,24)(H,26,27)/b9-6+
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n/an/a 126n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421452
PNG
(CHEMBL170108)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421446
PNG
(CHEMBL67254)
Show SMILES CCOC(\C=C\c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H33N3O4/c1-4-30-19(10-7-16-5-8-18(9-6-16)21(24)25)23(2,3)22(29)26-13-11-17(12-14-26)15-20(27)28/h5-10,17,19H,4,11-15H2,1-3H3,(H3,24,25)(H,27,28)/b10-7+
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n/an/a 129n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421449
PNG
(CHEMBL351620)
Show SMILES CC(C)(C(OCC=C)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H33N3O4/c1-4-15-31-20(10-7-17-5-8-19(9-6-17)22(25)26)24(2,3)23(30)27-13-11-18(12-14-27)16-21(28)29/h4-10,18,20H,1,11-16H2,2-3H3,(H3,25,26)(H,28,29)/b10-7+
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n/an/a 135n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421473
PNG
(CHEMBL424570)
Show SMILES CN([C@H](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)/t23-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421488
PNG
(CHEMBL350415)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 186n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421434
PNG
(CHEMBL367194)
Show SMILES CC(C)([C@H](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)/t26-/m1/s1
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n/an/a 191n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
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 209n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421486
PNG
(CHEMBL67626)
Show SMILES COC(CCc1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H33N3O4/c1-22(2,21(28)25-12-10-16(11-13-25)14-19(26)27)18(29-3)9-6-15-4-7-17(8-5-15)20(23)24/h4-5,7-8,16,18H,6,9-14H2,1-3H3,(H3,23,24)(H,26,27)
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n/an/a 240n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421479
PNG
(CHEMBL68449)
Show SMILES CC(C)(C(O)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H29N3O4/c1-21(2,20(28)24-11-9-15(10-12-24)13-18(26)27)17(25)8-5-14-3-6-16(7-4-14)19(22)23/h3-8,15,17,25H,9-13H2,1-2H3,(H3,22,23)(H,26,27)/b8-5+
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n/an/a 302n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421458
PNG
(CHEMBL353150)
Show SMILES CC(C)([C@H](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)/t22-/m1/s1
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n/an/a 331n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421484
PNG
(CHEMBL68130)
Show SMILES CC(C)(C(OCc1ccccc1)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C28H35N3O4/c1-28(2,27(34)31-16-14-21(15-17-31)18-25(32)33)24(35-19-22-6-4-3-5-7-22)13-10-20-8-11-23(12-9-20)26(29)30/h3-13,21,24H,14-19H2,1-2H3,(H3,29,30)(H,32,33)/b13-10+
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n/an/a 363n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421440
PNG
(CHEMBL355201)
Show SMILES CCCCNC(=N)c1ccc(C(=O)N[C@H](CC)C(C)(C)C(=O)N2CCC(CC(O)=O)CC2)c(F)c1
Show InChI InChI=1S/C26H39FN4O4/c1-5-7-12-29-23(28)18-8-9-19(20(27)16-18)24(34)30-21(6-2)26(3,4)25(35)31-13-10-17(11-14-31)15-22(32)33/h8-9,16-17,21H,5-7,10-15H2,1-4H3,(H2,28,29)(H,30,34)(H,32,33)/t21-/m1/s1
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n/an/a 501n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
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 575n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421455
PNG
(CHEMBL66261)
Show SMILES CC(C)(CCC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H29N3O4/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/h3-6,14H,7-13H2,1-2H3,(H3,22,23)(H,26,27)
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n/an/a 631n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421466
PNG
(CHEMBL355090)
Show SMILES CCCC[C@@H](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)/t22-/m1/s1
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n/an/a 708n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421431
PNG
(CHEMBL66386)
Show SMILES CCCCCCOC(\C=C\c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H41N3O4/c1-4-5-6-7-18-34-23(13-10-20-8-11-22(12-9-20)25(28)29)27(2,3)26(33)30-16-14-21(15-17-30)19-24(31)32/h8-13,21,23H,4-7,14-19H2,1-3H3,(H3,28,29)(H,31,32)/b13-10+
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n/an/a 794n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of alphaV-beta3 mediated cell adhesion


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421477
PNG
(CHEMBL355010)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N(CC)CC)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H39FN4O4/c1-6-21(26(4,5)25(35)31-13-11-17(12-14-31)15-22(32)33)29-24(34)19-10-9-18(16-20(19)27)23(28)30(7-2)8-3/h9-10,16-17,21,28H,6-8,11-15H2,1-5H3,(H,29,34)(H,32,33)/t21-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421435
PNG
(CHEMBL63562)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](CC(=O)N1CCC(CC(O)=O)CC1)C(=O)OC1CCCCC1
Show InChI InChI=1S/C25H34N4O6/c26-23(27)17-6-8-18(9-7-17)24(33)28-20(25(34)35-19-4-2-1-3-5-19)15-21(30)29-12-10-16(11-13-29)14-22(31)32/h6-9,16,19-20H,1-5,10-15H2,(H3,26,27)(H,28,33)(H,31,32)/t20-/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421454
PNG
(CHEMBL64969)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C18H24N4O4/c19-17(20)13-1-3-14(4-2-13)18(26)21-8-5-15(23)22-9-6-12(7-10-22)11-16(24)25/h1-4,12H,5-11H2,(H3,19,20)(H,21,26)(H,24,25)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421438
PNG
(CHEMBL63143)
Show SMILES CC(C)(C(=O)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-9-15(10-12-24)13-18(26)27)17(25)8-5-14-3-6-16(7-4-14)19(22)23/h3-8,15H,9-13H2,1-2H3,(H3,22,23)(H,26,27)/b8-5+
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n/an/a 3.47E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421445
PNG
(CHEMBL307082)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](CC(=O)N1CCC(CC(O)=O)CC1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C25H28N4O6/c26-23(27)17-6-8-18(9-7-17)24(33)28-20(25(34)35-19-4-2-1-3-5-19)15-21(30)29-12-10-16(11-13-29)14-22(31)32/h1-9,16,20H,10-15H2,(H3,26,27)(H,28,33)(H,31,32)/t20-/m0/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421465
PNG
(CHEMBL294057)
Show SMILES C[C@@H](CC(=O)N1CCC(CC(O)=O)CC1)NC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H26N4O4/c1-12(22-19(27)15-4-2-14(3-5-15)18(20)21)10-16(24)23-8-6-13(7-9-23)11-17(25)26/h2-5,12-13H,6-11H2,1H3,(H3,20,21)(H,22,27)(H,25,26)/t12-/m0/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421474
PNG
(CHEMBL63177)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](CC(=O)N1CCC(CC(O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C24H28N4O4/c25-23(26)18-6-8-19(9-7-18)24(32)27-20(17-4-2-1-3-5-17)15-21(29)28-12-10-16(11-13-28)14-22(30)31/h1-9,16,20H,10-15H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m1/s1
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n/an/a 5.25E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421485
PNG
(CHEMBL67124)
Show SMILES CN(CCC(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H26N4O4/c1-22(19(27)15-4-2-14(3-5-15)18(20)21)9-8-16(24)23-10-6-13(7-11-23)12-17(25)26/h2-5,13H,6-12H2,1H3,(H3,20,21)(H,25,26)
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n/an/a 6.46E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421460
PNG
(CHEMBL63665)
Show SMILES CN(CC(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H24N4O4/c1-21(18(26)14-4-2-13(3-5-14)17(19)20)11-15(23)22-8-6-12(7-9-22)10-16(24)25/h2-5,12H,6-11H2,1H3,(H3,19,20)(H,24,25)
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n/an/a 7.59E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421471
PNG
(CHEMBL443527)
Show SMILES CC(C)[C@@H](CC(=O)N1CCC(CC(O)=O)CC1)NC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H30N4O4/c1-13(2)17(24-21(29)16-5-3-15(4-6-16)20(22)23)12-18(26)25-9-7-14(8-10-25)11-19(27)28/h3-6,13-14,17H,7-12H2,1-2H3,(H3,22,23)(H,24,29)(H,27,28)/t17-/m1/s1
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n/an/a 9.12E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421482
PNG
(CHEMBL169477)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N1CCC(COC(O)=O)CC1
Show InChI InChI=1S/C18H24N4O5/c19-16(20)13-1-3-14(4-2-13)17(24)21-8-5-15(23)22-9-6-12(7-10-22)11-27-18(25)26/h1-4,12H,5-11H2,(H3,19,20)(H,21,24)(H,25,26)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421462
PNG
(CHEMBL302613)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C18H24N4O4/c1-11(18(26)22-8-6-12(7-9-22)10-15(23)24)21-17(25)14-4-2-13(3-5-14)16(19)20/h2-5,11-12H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1
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n/an/a 3.02E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421470
PNG
(CHEMBL67717)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C17H22N4O4/c18-15(19)11-1-3-12(4-2-11)16(23)20-8-5-14(22)21-9-6-13(7-10-21)17(24)25/h1-4,13H,5-10H2,(H3,18,19)(H,20,23)(H,24,25)
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n/an/a 3.31E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421433
PNG
(CHEMBL355638)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](CC(O)=O)CC(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C20H26N4O6/c21-19(22)13-1-3-14(4-2-13)20(30)23-15(11-18(28)29)10-16(25)24-7-5-12(6-8-24)9-17(26)27/h1-4,12,15H,5-11H2,(H3,21,22)(H,23,30)(H,26,27)(H,28,29)/t15-/m0/s1
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n/an/a 3.31E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421451
PNG
(CHEMBL67606)
Show SMILES CN(CC(=O)N1CCC(CC1)C(O)=O)C(=O)c1ccc(CNC(N)=N)cc1
Show InChI InChI=1S/C18H25N5O4/c1-22(11-15(24)23-8-6-14(7-9-23)17(26)27)16(25)13-4-2-12(3-5-13)10-21-18(19)20/h2-5,14H,6-11H2,1H3,(H,26,27)(H4,19,20,21)
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n/an/a 5.25E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421478
PNG
(CHEMBL65025)
Show SMILES C[C@H](NC(=O)c1ccc(CNC(N)=N)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C19H27N5O4/c1-12(18(28)24-8-6-13(7-9-24)10-16(25)26)23-17(27)15-4-2-14(3-5-15)11-22-19(20)21/h2-5,12-13H,6-11H2,1H3,(H,23,27)(H,25,26)(H4,20,21,22)/t12-/m0/s1
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n/an/a 9.12E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421469
PNG
(CHEMBL68291)
Show SMILES CN(CC(=O)N1CCC(CC1)C(O)=O)C(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C17H23N5O4/c1-21(10-14(23)22-8-6-12(7-9-22)16(25)26)15(24)11-2-4-13(5-3-11)20-17(18)19/h2-5,12H,6-10H2,1H3,(H,25,26)(H4,18,19,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421432
PNG
(CHEMBL67468)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C17H22N4O4/c1-10(16(23)21-8-6-13(7-9-21)17(24)25)20-15(22)12-4-2-11(3-5-12)14(18)19/h2-5,10,13H,6-9H2,1H3,(H3,18,19)(H,20,22)(H,24,25)/t10-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421441
PNG
(CHEMBL66379)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)NCCC(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C18H25N5O4/c19-18(20)22-14-3-1-13(2-4-14)17(27)21-8-5-15(24)23-9-6-12(7-10-23)11-16(25)26/h1-4,12H,5-11H2,(H,21,27)(H,25,26)(H4,19,20,22)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421483
PNG
(CHEMBL169760)
Show SMILES COC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H24N4O4/c1-21(17(24)13-5-3-12(4-6-13)16(19)20)11-15(23)22-9-7-14(8-10-22)18(25)26-2/h3-6,14H,7-11H2,1-2H3,(H3,19,20)
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n/an/a 3.31E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421461
PNG
(CHEMBL66905)
Show SMILES CC(C)(C(=O)CC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H27N3O5/c1-21(2,20(29)24-9-7-13(8-10-24)11-18(27)28)17(26)12-16(25)14-3-5-15(6-4-14)19(22)23/h3-6,13H,7-12H2,1-2H3,(H3,22,23)(H,27,28)
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n/an/a 6.03E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421430
PNG
(CHEMBL66470)
Show SMILES C[C@H](NC(=O)c1ccc(CNC(N)=N)cc1)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C18H25N5O4/c1-11(16(25)23-8-6-14(7-9-23)17(26)27)22-15(24)13-4-2-12(3-5-13)10-21-18(19)20/h2-5,11,14H,6-10H2,1H3,(H,22,24)(H,26,27)(H4,19,20,21)/t11-/m0/s1
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n/an/a 7.08E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421453
PNG
(CHEMBL63841)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)N=C(N)N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C18H25N5O4/c1-11(17(27)23-8-6-12(7-9-23)10-15(24)25)21-16(26)13-2-4-14(5-3-13)22-18(19)20/h2-5,11-12H,6-10H2,1H3,(H,21,26)(H,24,25)(H4,19,20,22)/t11-/m0/s1
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n/an/a 7.41E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421468
PNG
(CHEMBL306913)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)NCCC(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C17H23N5O4/c18-17(19)21-13-3-1-11(2-4-13)15(24)20-8-5-14(23)22-9-6-12(7-10-22)16(25)26/h1-4,12H,5-10H2,(H,20,24)(H,25,26)(H4,18,19,21)
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n/an/a 7.59E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421463
PNG
(CHEMBL68343)
Show SMILES CN(CC(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C18H25N5O4/c1-22(17(27)13-2-4-14(5-3-13)21-18(19)20)11-15(24)23-8-6-12(7-9-23)10-16(25)26/h2-5,12H,6-11H2,1H3,(H,25,26)(H4,19,20,21)
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n/an/a 7.59E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%