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PubMed code 11551763

Compile data set for download or QSAR
Found 25 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))		BDBM50104592
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-5,6,7,8-tetrahy...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H30N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,9,14-15,17-18,23H,2,4-8,10-13H2,(H,25,31)(H,29,30)/t17?,18-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
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n/an/a 0.0270n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104602
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)NC(=O)OCc1ccccc1 |w:15.15|
Show InChI InChI=1S/C25H32N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,8-9,17,19-20,26H,4,7,10-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.0410n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104595
PNG
(2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H32N6O5S/c31-23(26-15-20(24(32)33)29-36(34,35)16-18-5-2-1-3-6-18)19-7-4-14-30-21(27-28-22(19)30)9-8-17-10-12-25-13-11-17/h1-3,5-6,8-9,17,19-20,25,29H,4,7,10-16H2,(H,26,31)(H,32,33)/b9-8+/t19?,20-/m0/s1
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n/an/a 0.0430n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104591
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H30N6O3/c33-24(34)15-22(19-14-18-4-1-2-6-21(18)28-16-19)29-26(35)20-5-3-13-32-23(30-31-25(20)32)8-7-17-9-11-27-12-10-17/h1-2,4,6-8,14,16-17,20,22,27H,3,5,9-13,15H2,(H,29,35)(H,33,34)/b8-7+/t20?,22-/m0/s1
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n/an/a 0.0570n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 0.0600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
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n/an/a 0.0610n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104594
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-e...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,17,19-20,26H,4,7-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.0680n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104596
PNG
(3-{[3-(2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C24H31N7O4/c32-21(13-17-3-1-9-26-14-17)28-19(24(34)35)15-27-23(33)18-4-2-12-31-20(29-30-22(18)31)6-5-16-7-10-25-11-8-16/h1,3,5-6,9,14,16,18-19,25H,2,4,7-8,10-13,15H2,(H,27,33)(H,28,32)(H,34,35)/b6-5+/t18?,19-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104602
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)NC(=O)OCc1ccccc1 |w:15.15|
Show InChI InChI=1S/C25H32N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,8-9,17,19-20,26H,4,7,10-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104599
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-[1,2,4]triazolo...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H26N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1-4,9,12,14-15,18,23H,5-8,10-11,13H2,(H,25,31)(H,29,30)/t18-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104591
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H30N6O3/c33-24(34)15-22(19-14-18-4-1-2-6-21(18)28-16-19)29-26(35)20-5-3-13-32-23(30-31-25(20)32)8-7-17-9-11-27-12-10-17/h1-2,4,6-8,14,16-17,20,22,27H,3,5,9-13,15H2,(H,29,35)(H,33,34)/b8-7+/t20?,22-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104594
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-e...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,17,19-20,26H,4,7-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104595
PNG
(2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H32N6O5S/c31-23(26-15-20(24(32)33)29-36(34,35)16-18-5-2-1-3-6-18)19-7-4-14-30-21(27-28-22(19)30)9-8-17-10-12-25-13-11-17/h1-3,5-6,8-9,17,19-20,25,29H,4,7,10-16H2,(H,26,31)(H,32,33)/b9-8+/t19?,20-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104592
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-5,6,7,8-tetrahy...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H30N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,9,14-15,17-18,23H,2,4-8,10-13H2,(H,25,31)(H,29,30)/t17?,18-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104590
PNG
(2-Isobutoxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)C(O)=O |w:20.20|
Show InChI InChI=1S/C22H34N6O5/c1-14(2)13-33-22(32)25-17(21(30)31)12-24-20(29)16-4-3-11-28-18(26-27-19(16)28)6-5-15-7-9-23-10-8-15/h5-6,14-17,23H,3-4,7-13H2,1-2H3,(H,24,29)(H,25,32)(H,30,31)/t16?,17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104590
PNG
(2-Isobutoxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)C(O)=O |w:20.20|
Show InChI InChI=1S/C22H34N6O5/c1-14(2)13-33-22(32)25-17(21(30)31)12-24-20(29)16-4-3-11-28-18(26-27-19(16)28)6-5-15-7-9-23-10-8-15/h5-6,14-17,23H,3-4,7-13H2,1-2H3,(H,24,29)(H,25,32)(H,30,31)/t16?,17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104596
PNG
(3-{[3-(2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C24H31N7O4/c32-21(13-17-3-1-9-26-14-17)28-19(24(34)35)15-27-23(33)18-4-2-12-31-20(29-30-22(18)31)6-5-16-7-10-25-11-8-16/h1,3,5-6,9,14,16,18-19,25H,2,4,7-8,10-13,15H2,(H,27,33)(H,28,32)(H,34,35)/b6-5+/t18?,19-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104593
PNG
(2-Benzyloxycarbonylamino-3-{[8-methyl-3-(2-piperid...)
Show SMILES CC1(CCCn2c(CCC3CCNCC3)nnc12)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H36N6O5/c1-26(12-5-15-32-21(30-31-23(26)32)9-8-18-10-13-27-14-11-18)24(35)28-16-20(22(33)34)29-25(36)37-17-19-6-3-2-4-7-19/h2-4,6-7,18,20,27H,5,8-17H2,1H3,(H,28,35)(H,29,36)(H,33,34)/t20-,26?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104599
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-[1,2,4]triazolo...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H26N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1-4,9,12,14-15,18,23H,5-8,10-11,13H2,(H,25,31)(H,29,30)/t18-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104593
PNG
(2-Benzyloxycarbonylamino-3-{[8-methyl-3-(2-piperid...)
Show SMILES CC1(CCCn2c(CCC3CCNCC3)nnc12)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H36N6O5/c1-26(12-5-15-32-21(30-31-23(26)32)9-8-18-10-13-27-14-11-18)24(35)28-16-20(22(33)34)29-25(36)37-17-19-6-3-2-4-7-19/h2-4,6-7,18,20,27H,5,8-17H2,1H3,(H,28,35)(H,29,36)(H,33,34)/t20-,26?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50104601
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-[1,2,4]tria...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H24N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1-6,9,12,14-15,18,23H,7-8,10-11,13H2,(H,25,31)(H,29,30)/b6-5+/t18-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa

Bioorg Med Chem Lett 11: 2619-22 (2001)


BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%