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Compile Data Set for Download or QSAR

Found 115 hits of kd for UniProtKB: P08514   
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 alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075579
PNG
((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15-,17+/m1/s1
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n/an/an/a 2.80n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for activated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075566
PNG
((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m1/s1
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n/an/an/a 0.600n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for activated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075572
PNG
((S)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m0/s1
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n/an/an/a 2.70n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for activated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075563
PNG
((R)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m1/s1
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n/an/an/a 5.90n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for activated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075579
PNG
((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15-,17+/m1/s1
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n/an/an/a 2.40n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for unactivated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075563
PNG
((R)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m1/s1
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n/an/an/a 24n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for unactivated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075580
PNG
((R)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m0/s1
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n/an/an/a 186n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for activated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075580
PNG
((R)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m0/s1
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n/an/an/a 253n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for unactivated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075572
PNG
((S)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m0/s1
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n/an/an/a 3.70n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for unactivated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50075566
PNG
((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m1/s1
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n/an/an/a 0.900n/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Dissociation constant for unactivated Fibrinogen Receptor


J Med Chem 42: 1178-92 (1999)


Article DOI: 10.1021/jm980348t
BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078431
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C21H25N3O5S4/c25-19(23-12-16(20(26)27)24-33(28,29)18-2-1-9-30-18)17-11-14-10-15(31-21(14)32-17)4-3-13-5-7-22-8-6-13/h1-2,9-11,13,16,22,24H,3-8,12H2,(H,23,25)(H,26,27)/t16-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078432
PNG
((S)-3-[(5-Piperidin-4-yl-thieno[2,3-b]thiophene-2-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(sc2s1)C1CCNCC1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C20H22N4O5S3/c25-18(17-9-13-8-16(30-20(13)31-17)12-3-6-21-7-4-12)23-11-15(19(26)27)24-32(28,29)14-2-1-5-22-10-14/h1-2,5,8-10,12,15,21,24H,3-4,6-7,11H2,(H,23,25)(H,26,27)/t15-/m0/s1
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n/an/an/a 22n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078433
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-22(25-14-18(23(28)29)26-34(30,31)17-4-2-1-3-5-17)21-13-20-19(33-21)12-16(32-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,18,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078436
PNG
((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...)
Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O
Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-17(20(26)27)13-23-19(25)18-12-15-11-16(31-21(15)32-18)4-3-14-5-7-22-8-6-14/h11-12,14,17,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t17-/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078437
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/an/a 0.0700n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078438
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C21H25N3O5S4/c25-20(23-12-15(21(26)27)24-33(28,29)19-2-1-9-30-19)18-11-17-16(32-18)10-14(31-17)4-3-13-5-7-22-8-6-13/h1-2,9-11,13,15,22,24H,3-8,12H2,(H,23,25)(H,26,27)/t15-/m0/s1
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n/an/an/a 0.0920n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078439
PNG
((S)-2-Methanesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O
Show InChI InChI=1S/C18H25N3O5S3/c1-29(25,26)21-14(17(23)24)10-20-16(22)15-9-12-8-13(27-18(12)28-15)3-2-11-4-6-19-7-5-11/h8-9,11,14,19,21H,2-7,10H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1
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n/an/an/a 52n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078443
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-17(20(26)27)13-23-19(25)18-12-15-11-16(30-21(15)31-18)5-4-14-6-8-22-9-7-14/h11-12,14,17,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t17-/m0/s1
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n/an/an/a 5.60n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078442
PNG
((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078441
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C22H26N4O5S3/c27-21(25-13-17(22(28)29)26-34(30,31)16-2-1-7-24-12-16)20-11-19-18(33-20)10-15(32-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,17,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t17-/m0/s1
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n/an/an/a 0.0800n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078435
PNG
((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...)
Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O
Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1
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n/an/an/a 1.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078447
PNG
((S)-3-{[5-(3-Piperidin-4-yl-propyl)-thieno[2,3-b]t...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C23H28N4O5S3/c28-21(26-14-19(22(29)30)27-35(31,32)18-5-2-8-25-13-18)20-12-16-11-17(33-23(16)34-20)4-1-3-15-6-9-24-10-7-15/h2,5,8,11-13,15,19,24,27H,1,3-4,6-7,9-10,14H2,(H,26,28)(H,29,30)/t19-/m0/s1
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n/an/an/a 17n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078445
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1
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n/an/an/a 3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
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n/an/an/a 0.0230n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078444
PNG
((S)-2-(4-Chloro-benzenesulfonylamino)-3-{[5-(2-pip...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN3O5S3/c24-16-2-5-18(6-3-16)35(31,32)27-19(22(29)30)13-26-21(28)20-12-15-11-17(33-23(15)34-20)4-1-14-7-9-25-10-8-14/h2-3,5-6,11-12,14,19,25,27H,1,4,7-10,13H2,(H,26,28)(H,29,30)/t19-/m0/s1
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n/an/an/a 0.0260n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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n/an/an/a 550n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058237
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
Show InChI InChI=1S/C22H36N6O6S/c1-2-3-13-35(33,34)26-18(22(31)32)15-24-20(29)17-14-19-21(30)27(10-4-11-28(19)25-17)12-7-16-5-8-23-9-6-16/h14,16,18,23,26H,2-13,15H2,1H3,(H,24,29)(H,31,32)/t18-/m0/s1
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n/an/an/a 1.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058238
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-4,5,6,7-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1
Show InChI InChI=1S/C17H25N5O4/c23-15(24)3-7-19-16(25)13-11-14-17(26)21(9-10-22(14)20-13)8-4-12-1-5-18-6-2-12/h11-12,18H,1-10H2,(H,19,25)(H,23,24)
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n/an/an/a 590n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 600n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058236
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O
Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058240
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1
Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)
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n/an/an/a 680n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058239
PNG
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1
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n/an/an/a 1.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of L-736,622 from purified resting Fibrinogen Receptor


J Med Chem 40: 1779-88 (1997)


Article DOI: 10.1021/jm9608117
BindingDB Entry DOI: 10.7270/Q2222VDD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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n/an/an/a 550n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078433
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-22(25-14-18(23(28)29)26-34(30,31)17-4-2-1-3-5-17)21-13-20-19(33-21)12-16(32-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,18,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 650n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078442
PNG
((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058236
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O
Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/m0/s1
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n/an/an/a 1.40n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078437
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/an/a 0.0700n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin rested platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 4.5n/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for alpha IIb beta-3 integrin activated platelets


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091734
PNG
(3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-amino...)
Show SMILES OC(=O)CC(NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)C#C
Show InChI InChI=1S/C22H27N3O4/c1-2-18(13-21(27)28)24-20(26)14-25(19-6-7-19)22(29)17-5-3-4-16(12-17)15-8-10-23-11-9-15/h1,3-5,12,15,18-19,23H,6-11,13-14H2,(H,24,26)(H,27,28)
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n/an/an/a 120n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
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n/an/an/a 0.0900n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091741
PNG
((S)-4-Hydroxy-3-[2-(1-oxo-7-piperazin-1-yl-3,4-dih...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091737
PNG
((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058240
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1
Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)
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n/an/an/a 46n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 4.5n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091739
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(13-18(24)25)21-17(23)12-15-4-3-10-22(19(15)26)11-7-14-5-8-20-9-6-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16-/m1/s1
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n/an/an/a 6.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50054531
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C23H27N5O4/c29-21(26-20(13-22(30)31)17-2-1-6-25-14-17)15-28-9-5-16-3-4-18(12-19(16)23(28)32)27-10-7-24-8-11-27/h1-4,6,12,14,20,24H,5,7-11,13,15H2,(H,26,29)(H,30,31)/t20-/m0/s1
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n/an/an/a 3.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091732
PNG
((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1
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n/an/an/a 340n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50091740
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.


Bioorg Med Chem Lett 10: 1943-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00385-1
BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
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