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Compile Data Set for Download or QSAR

Found 60 hits from Du Pont Pharmaceuticals Company   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076575
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C21H32N6O6S/c1-12-8-13(2)18(14(3)9-12)34(31,32)27-17(20(29)30)11-25-19(28)16-10-15(33-26-16)6-4-5-7-24-21(22)23/h8-9,15,17,27H,4-7,10-11H2,1-3H3,(H,25,28)(H,29,30)(H4,22,23,24)/t15?,17-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50217532
PNG
(CHEMBL3559597)
Show SMILES Cc1cn(C)[n+](Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O
Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/t11?,13-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076582
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1Br)C(O)=O
Show InChI InChI=1S/C18H25BrN6O6S/c19-12-6-1-2-7-15(12)32(29,30)25-14(17(27)28)10-23-16(26)13-9-11(31-24-13)5-3-4-8-22-18(20)21/h1-2,6-7,11,14,25H,3-5,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t11?,14-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50217533
PNG
(CHEMBL3559598)
Show SMILES CN(C)c1cccc2[n+](cccc12)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O
Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/t15?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076576
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(s1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C21H27N7O6S2/c22-21(23)25-10-3-1-5-13-11-15(27-34-13)19(29)26-12-16(20(30)31)28-36(32,33)18-8-7-17(35-18)14-6-2-4-9-24-14/h2,4,6-9,13,16,28H,1,3,5,10-12H2,(H,26,29)(H,30,31)(H4,22,23,25)/t13?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076565
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H26N6O6S/c19-18(20)21-9-5-4-6-12-10-14(23-30-12)16(25)22-11-15(17(26)27)24-31(28,29)13-7-2-1-3-8-13/h1-3,7-8,12,15,24H,4-6,9-11H2,(H,22,25)(H,26,27)(H4,19,20,21)/t12?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076588
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H25ClN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076560
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C19H28N6O7S/c1-31-12-5-7-14(8-6-12)33(29,30)25-16(18(27)28)11-23-17(26)15-10-13(32-24-15)4-2-3-9-22-19(20)21/h5-8,13,16,25H,2-4,9-11H2,1H3,(H,23,26)(H,27,28)(H4,20,21,22)/t13?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076561
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C17H27N7O7S/c1-9-14(10(2)30-22-9)32(28,29)24-13(16(26)27)8-21-15(25)12-7-11(31-23-12)5-3-4-6-20-17(18)19/h11,13,24H,3-8H2,1-2H3,(H,21,25)(H,26,27)(H4,18,19,20)/t11?,13-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076584
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C18H25FN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076570
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C22H28N6O6S/c23-22(24)25-11-4-3-8-15-12-17(27-34-15)20(29)26-13-18(21(30)31)28-35(32,33)19-10-5-7-14-6-1-2-9-16(14)19/h1-2,5-7,9-10,15,18,28H,3-4,8,11-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t15?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076559
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccs1)C(O)=O
Show InChI InChI=1S/C16H24N6O6S2/c17-16(18)19-6-2-1-4-10-8-11(21-28-10)14(23)20-9-12(15(24)25)22-30(26,27)13-5-3-7-29-13/h3,5,7,10,12,22H,1-2,4,6,8-9H2,(H,20,23)(H,24,25)(H4,17,18,19)/t10?,12-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076569
PNG
((S)-2-Benzyloxycarbonylamino-3-{[5-(4-guanidino-bu...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-9-5-4-8-14-10-15(26-32-14)17(27)24-11-16(18(28)29)25-20(30)31-12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t14?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076562
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(O)=O
Show InChI InChI=1S/C16H22Cl2N6O6S2/c17-12-6-11(13(18)31-12)32(28,29)24-10(15(26)27)7-22-14(25)9-5-8(30-23-9)3-1-2-4-21-16(19)20/h6,8,10,24H,1-5,7H2,(H,22,25)(H,26,27)(H4,19,20,21)/t8?,10-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076573
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C22H34N6O6S/c1-22(2,3)14-7-9-16(10-8-14)35(32,33)28-18(20(30)31)13-26-19(29)17-12-15(34-27-17)6-4-5-11-25-21(23)24/h7-10,15,18,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,30,31)(H4,23,24,25)/t15?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076581
PNG
((S)-2-Benzyloxycarbonylamino-3-{[5-(2-guanidino-et...)
Show SMILES NC(=N)NCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H24N6O6/c19-17(20)21-7-6-12-8-13(24-30-12)15(25)22-9-14(16(26)27)23-18(28)29-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,22,25)(H,23,28)(H,26,27)(H4,19,20,21)/t12?,14-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076557
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(3-guanidino-...)
Show SMILES NC(=N)NCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-8-4-7-14-9-15(32-26-14)10-17(27)24-11-16(18(28)29)25-20(30)31-12-13-5-2-1-3-6-13/h1-3,5-6,15-16H,4,7-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076563
PNG
((S)-2-Benzyloxycarbonylamino-3-{3-[5-(2-guanidino-...)
Show SMILES NC(=N)NCCC1CC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)=NO1
Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-9-8-15-10-14(26-32-15)6-7-17(27)24-11-16(18(28)29)25-20(30)31-12-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076558
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cn1ccc(n1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C16H26N8O6S/c1-24-7-5-13(21-24)31(28,29)23-12(15(26)27)9-20-14(25)11-8-10(30-22-11)4-2-3-6-19-16(17)18/h5,7,10,12,23H,2-4,6,8-9H2,1H3,(H,20,25)(H,26,27)(H4,17,18,19)/t10?,12-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076579
PNG
((S)-2-Benzyloxycarbonylamino-3-{3-[3-(3-guanidino-...)
Show SMILES NC(=N)NCCCC1=NOC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C21H30N6O6/c22-20(23)24-10-4-7-15-11-16(33-27-15)8-9-18(28)25-12-17(19(29)30)26-21(31)32-13-14-5-2-1-3-6-14/h1-3,5-6,16-17H,4,7-13H2,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t16?,17-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076586
PNG
((S)-2-Benzyloxycarbonylamino-3-{[3-(3-guanidino-pr...)
Show SMILES NC(=N)NCCCC1=NOC(C1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H26N6O6/c20-18(21)22-8-4-7-13-9-15(31-25-13)16(26)23-10-14(17(27)28)24-19(29)30-11-12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2,(H,23,26)(H,24,29)(H,27,28)(H4,20,21,22)/t14-,15?/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076585
PNG
((S)-2-Benzyloxycarbonylamino-3-{[5-(3-guanidino-pr...)
Show SMILES NC(=N)NCCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H26N6O6/c20-18(21)22-8-4-7-13-9-14(25-31-13)16(26)23-10-15(17(27)28)24-19(29)30-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,23,26)(H,24,29)(H,27,28)(H4,20,21,22)/t13?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076583
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES N\C([NH-])=[NH+]\CCCCC1CC(=NO1)C(=O)NCC(NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H25N7O8S/c19-18(20)21-8-2-1-3-12-9-14(23-33-12)16(26)22-10-15(17(27)28)24-34(31,32)13-6-4-11(5-7-13)25(29)30/h4-7,12,15,24H,1-3,8-10H2,(H6,19,20,21,22,26,27,28)
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076582
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1Br)C(O)=O
Show InChI InChI=1S/C18H25BrN6O6S/c19-12-6-1-2-7-15(12)32(29,30)25-14(17(27)28)10-23-16(26)13-9-11(31-24-13)5-3-4-8-22-18(20)21/h1-2,6-7,11,14,25H,3-5,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t11?,14-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076564
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(4-guanidino-...)
Show SMILES NC(=N)NCCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C21H30N6O6/c22-20(23)24-9-5-4-8-15-10-16(33-27-15)11-18(28)25-12-17(19(29)30)26-21(31)32-13-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13H2,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t16?,17-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50217532
PNG
(CHEMBL3559597)
Show SMILES Cc1cn(C)[n+](Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O
Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/t11?,13-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076571
PNG
((S)-2-Benzyloxycarbonylamino-3-{3-[3-(4-guanidino-...)
Show SMILES NC(=N)NCCCCC1=NOC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C22H32N6O6/c23-21(24)25-11-5-4-8-16-12-17(34-28-16)9-10-19(29)26-13-18(20(30)31)27-22(32)33-14-15-6-2-1-3-7-15/h1-3,6-7,17-18H,4-5,8-14H2,(H,26,29)(H,27,32)(H,30,31)(H4,23,24,25)/t17?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076566
PNG
((S)-2-Benzyloxycarbonylamino-3-[3-(5-guanidinometh...)
Show SMILES NC(=N)NCC1CC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)=NO1
Show InChI InChI=1S/C19H26N6O6/c20-18(21)23-9-14-8-13(25-31-14)6-7-16(26)22-10-15(17(27)28)24-19(29)30-11-12-4-2-1-3-5-12/h1-5,14-15H,6-11H2,(H,22,26)(H,24,29)(H,27,28)(H4,20,21,23)/t14?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076575
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C21H32N6O6S/c1-12-8-13(2)18(14(3)9-12)34(31,32)27-17(20(29)30)11-25-19(28)16-10-15(33-26-16)6-4-5-7-24-21(22)23/h8-9,15,17,27H,4-7,10-11H2,1-3H3,(H,25,28)(H,29,30)(H4,22,23,24)/t15?,17-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076559
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccs1)C(O)=O
Show InChI InChI=1S/C16H24N6O6S2/c17-16(18)19-6-2-1-4-10-8-11(21-28-10)14(23)20-9-12(15(24)25)22-30(26,27)13-5-3-7-29-13/h3,5,7,10,12,22H,1-2,4,6,8-9H2,(H,20,23)(H,24,25)(H4,17,18,19)/t10?,12-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076560
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C19H28N6O7S/c1-31-12-5-7-14(8-6-12)33(29,30)25-16(18(27)28)11-23-17(26)15-10-13(32-24-15)4-2-3-9-22-19(20)21/h5-8,13,16,25H,2-4,9-11H2,1H3,(H,23,26)(H,27,28)(H4,20,21,22)/t13?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076580
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(5-guanidino-...)
Show SMILES NC(=N)NCCCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C22H32N6O6/c23-21(24)25-10-6-2-5-9-16-11-17(34-28-16)12-19(29)26-13-18(20(30)31)27-22(32)33-14-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2,(H,26,29)(H,27,32)(H,30,31)(H4,23,24,25)/t17?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076577
PNG
((S)-2-Benzyloxycarbonylamino-3-{3-[3-(2-guanidino-...)
Show SMILES NC(=N)NCCC1=NOC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-9-8-14-10-15(32-26-14)6-7-17(27)24-11-16(18(28)29)25-20(30)31-12-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076576
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(s1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C21H27N7O6S2/c22-21(23)25-10-3-1-5-13-11-15(27-34-13)19(29)26-12-16(20(30)31)28-36(32,33)18-8-7-17(35-18)14-6-2-4-9-24-14/h2,4,6-9,13,16,28H,1,3,5,10-12H2,(H,26,29)(H,30,31)(H4,22,23,25)/t13?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076587
PNG
((S)-2-Benzyloxycarbonylamino-3-{[3-(5-guanidino-pe...)
Show SMILES NC(=N)NCCCCCC1=NOC(C1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N6O6/c22-20(23)24-10-6-2-5-9-15-11-17(33-27-15)18(28)25-12-16(19(29)30)26-21(31)32-13-14-7-3-1-4-8-14/h1,3-4,7-8,16-17H,2,5-6,9-13H2,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t16-,17?/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076565
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H26N6O6S/c19-18(20)21-9-5-4-6-12-10-14(23-30-12)16(25)22-11-15(17(26)27)24-31(28,29)13-7-2-1-3-8-13/h1-3,7-8,12,15,24H,4-6,9-11H2,(H,22,25)(H,26,27)(H4,19,20,21)/t12?,15-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076564
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(4-guanidino-...)
Show SMILES NC(=N)NCCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C21H30N6O6/c22-20(23)24-9-5-4-8-15-10-16(33-27-15)11-18(28)25-12-17(19(29)30)26-21(31)32-13-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13H2,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t16?,17-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076561
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C17H27N7O7S/c1-9-14(10(2)30-22-9)32(28,29)24-13(16(26)27)8-21-15(25)12-7-11(31-23-12)5-3-4-6-20-17(18)19/h11,13,24H,3-8H2,1-2H3,(H,21,25)(H,26,27)(H4,18,19,20)/t11?,13-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076572
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(2-guanidino-...)
Show SMILES NC(=N)NCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C19H26N6O6/c20-18(21)22-7-6-13-8-14(31-25-13)9-16(26)23-10-15(17(27)28)24-19(29)30-11-12-4-2-1-3-5-12/h1-5,14-15H,6-11H2,(H,23,26)(H,24,29)(H,27,28)(H4,20,21,22)/t14?,15-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076584
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C18H25FN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076580
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(5-guanidino-...)
Show SMILES NC(=N)NCCCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C22H32N6O6/c23-21(24)25-10-6-2-5-9-16-11-17(34-28-16)12-19(29)26-13-18(20(30)31)27-22(32)33-14-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2,(H,26,29)(H,27,32)(H,30,31)(H4,23,24,25)/t17?,18-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076562
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(O)=O
Show InChI InChI=1S/C16H22Cl2N6O6S2/c17-12-6-11(13(18)31-12)32(28,29)24-10(15(26)27)7-22-14(25)9-5-8(30-23-9)3-1-2-4-21-16(19)20/h6,8,10,24H,1-5,7H2,(H,22,25)(H,26,27)(H4,19,20,21)/t8?,10-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076588
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H25ClN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50076578
PNG
((S)-2-Benzyloxycarbonylamino-3-{[3-(2-guanidino-et...)
Show SMILES NC(=N)NCCC1=NOC(C1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H24N6O6/c19-17(20)21-7-6-12-8-14(30-24-12)15(25)22-9-13(16(26)27)23-18(28)29-10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2,(H,22,25)(H,23,28)(H,26,27)(H4,19,20,21)/t13-,14?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076570
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C22H28N6O6S/c23-22(24)25-11-4-3-8-15-12-17(27-34-15)20(29)26-13-18(21(30)31)28-35(32,33)19-10-5-7-14-6-1-2-9-16(14)19/h1-2,5-7,9-10,15,18,28H,3-4,8,11-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t15?,18-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076571
PNG
((S)-2-Benzyloxycarbonylamino-3-{3-[3-(4-guanidino-...)
Show SMILES NC(=N)NCCCCC1=NOC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C22H32N6O6/c23-21(24)25-11-5-4-8-16-12-17(34-28-16)9-10-19(29)26-13-18(20(30)31)27-22(32)33-14-15-6-2-1-3-7-15/h1-3,6-7,17-18H,4-5,8-14H2,(H,26,29)(H,27,32)(H,30,31)(H4,23,24,25)/t17?,18-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076558
PNG
(3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...)
Show SMILES Cn1ccc(n1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O
Show InChI InChI=1S/C16H26N8O6S/c1-24-7-5-13(21-24)31(28,29)23-12(15(26)27)9-20-14(25)11-8-10(30-22-11)4-2-3-6-19-16(17)18/h5,7,10,12,23H,2-4,6,8-9H2,1H3,(H,20,25)(H,26,27)(H4,17,18,19)/t10?,12-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50217533
PNG
(CHEMBL3559598)
Show SMILES CN(C)c1cccc2[n+](cccc12)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O
Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/t15?,18-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076572
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(2-guanidino-...)
Show SMILES NC(=N)NCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C19H26N6O6/c20-18(21)22-7-6-13-8-14(31-25-13)9-16(26)23-10-15(17(27)28)24-19(29)30-11-12-4-2-1-3-5-12/h1-5,14-15H,6-11H2,(H,23,26)(H,24,29)(H,27,28)(H4,20,21,22)/t14?,15-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against fibrinogen receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076557
PNG
((S)-2-Benzyloxycarbonylamino-3-{2-[3-(3-guanidino-...)
Show SMILES NC(=N)NCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1
Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-8-4-7-14-9-15(32-26-14)10-17(27)24-11-16(18(28)29)25-20(30)31-12-13-5-2-1-3-6-13/h1-3,5-6,15-16H,4,7-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1
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Du Pont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity against vitronectin receptor


Bioorg Med Chem Lett 9: 937-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00114-6
BindingDB Entry DOI: 10.7270/Q2G1600K
More data for this
Ligand-Target Pair
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