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PubMed code 10602710

Compile data set for download or QSAR
Found 51 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))		BDBM50083490
PNG
((R)-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)c1cccs1
Show InChI InChI=1S/C21H31N3O4S/c25-19(6-5-15-7-9-22-10-8-15)24-11-1-3-16(14-24)21(28)23-17(13-20(26)27)18-4-2-12-29-18/h2,4,12,15-17,22H,1,3,5-11,13-14H2,(H,23,28)(H,26,27)/t16-,17-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083469
PNG
((R)-3-(5-Chloro-thiophen-2-yl)-3-{[(R)-1-(3-piperi...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(Cl)s1
Show InChI InChI=1S/C21H30ClN3O4S/c22-18-5-4-17(30-18)16(12-20(27)28)24-21(29)15-2-1-11-25(13-15)19(26)6-3-14-7-9-23-10-8-14/h4-5,14-16,23H,1-3,6-13H2,(H,24,29)(H,27,28)/t15-,16-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083492
PNG
((S)-3-(6-Methyl-pyridin-3-yl)-3-{[(R)-1-(3-piperid...)
Show SMILES Cc1ccc(cn1)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C23H34N4O4/c1-16-4-6-18(14-25-16)20(13-22(29)30)26-23(31)19-3-2-12-27(15-19)21(28)7-5-17-8-10-24-11-9-17/h4,6,14,17,19-20,24H,2-3,5,7-13,15H2,1H3,(H,26,31)(H,29,30)/t19-,20+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083453
PNG
((S)-3-(6-Chloro-pyridin-3-yl)-3-{[(R)-1-(3-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(Cl)nc1
Show InChI InChI=1S/C22H31ClN4O4/c23-19-5-4-16(13-25-19)18(12-21(29)30)26-22(31)17-2-1-11-27(14-17)20(28)6-3-15-7-9-24-10-8-15/h4-5,13,15,17-18,24H,1-3,6-12,14H2,(H,26,31)(H,29,30)/t17-,18+/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083456
PNG
((S)-3-(5-Bromo-pyridin-3-yl)-3-{[(R)-1-(3-piperidi...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(Br)c1
Show InChI InChI=1S/C22H31BrN4O4/c23-18-10-17(12-25-13-18)19(11-21(29)30)26-22(31)16-2-1-9-27(14-16)20(28)4-3-15-5-7-24-8-6-15/h10,12-13,15-16,19,24H,1-9,11,14H2,(H,26,31)(H,29,30)/t16-,19+/m1/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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083479
PNG
((R)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C#Cc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22+/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083455
PNG
((S)-3-(5-Ethynyl-pyridin-3-yl)-3-{[(R)-1-(3-piperi...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)C#C
Show InChI InChI=1S/C24H32N4O4/c1-2-17-12-20(15-26-14-17)21(13-23(30)31)27-24(32)19-4-3-11-28(16-19)22(29)6-5-18-7-9-25-10-8-18/h1,12,14-15,18-19,21,25H,3-11,13,16H2,(H,27,32)(H,30,31)/t19-,21+/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083496
PNG
((R)-3-Benzo[1,3]dioxol-5-yl-3-({(R)-1-[3-(1-methyl...)
Show SMILES CN1CCC(CCC(=O)N2CCC[C@H](C2)C(=O)N[C@H](CC(O)=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H35N3O6/c1-27-11-8-17(9-12-27)4-7-23(29)28-10-2-3-19(15-28)25(32)26-20(14-24(30)31)18-5-6-21-22(13-18)34-16-33-21/h5-6,13,17,19-20H,2-4,7-12,14-16H2,1H3,(H,26,32)(H,30,31)/t19-,20-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083467
PNG
((S)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C#Cc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083495
PNG
((S)-3-(5,6-Dichloro-pyridin-3-yl)-3-{[(R)-1-(3-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cnc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N4O4/c23-17-10-16(12-26-21(17)24)18(11-20(30)31)27-22(32)15-2-1-9-28(13-15)19(29)4-3-14-5-7-25-8-6-14/h10,12,14-15,18,25H,1-9,11,13H2,(H,27,32)(H,30,31)/t15-,18+/m1/s1
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n/an/a 0.340n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083478
PNG
((R)-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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083466
PNG
((R)-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)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O4/c31-24(8-7-18-9-11-27-12-10-18)30-13-3-5-20(17-30)26(34)29-23(15-25(32)33)21-14-19-4-1-2-6-22(19)28-16-21/h1-2,4,6,14,16,18,20,23,27H,3,5,7-13,15,17H2,(H,29,34)(H,32,33)/t20-,23-/m1/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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083471
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)c1ccc(nc1)-c1ccsc1
Show InChI InChI=1S/C26H34N4O4S/c31-24(6-3-18-7-10-27-11-8-18)30-12-1-2-20(16-30)26(34)29-23(14-25(32)33)19-4-5-22(28-15-19)21-9-13-35-17-21/h4-5,9,13,15,17-18,20,23,27H,1-3,6-8,10-12,14,16H2,(H,29,34)(H,32,33)/t20-,23+/m1/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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083466
PNG
((R)-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)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O4/c31-24(8-7-18-9-11-27-12-10-18)30-13-3-5-20(17-30)26(34)29-23(15-25(32)33)21-14-19-4-1-2-6-22(19)28-16-21/h1-2,4,6,14,16,18,20,23,27H,3,5,7-13,15,17H2,(H,29,34)(H,32,33)/t20-,23-/m1/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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083449
PNG
((R)-4-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C24H35N3O4/c28-22(9-8-18-10-12-25-13-11-18)27-14-4-7-20(17-27)24(31)26-21(16-23(29)30)15-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,25H,4,7-17H2,(H,26,31)(H,29,30)/t20-,21-/m1/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
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083482
PNG
((R)-3-Benzo[1,3]dioxol-5-yl-3-{[(R)-1-(3-piperidin...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H33N3O6/c28-22(6-3-16-7-9-25-10-8-16)27-11-1-2-18(14-27)24(31)26-19(13-23(29)30)17-4-5-20-21(12-17)33-15-32-20/h4-5,12,16,18-19,25H,1-3,6-11,13-15H2,(H,26,31)(H,29,30)/t18-,19-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083480
PNG
((S)-3-(5-Phenyl-pyridin-3-yl)-3-{[(R)-1-(3-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C28H36N4O4/c33-26(9-8-20-10-12-29-13-11-20)32-14-4-7-22(19-32)28(36)31-25(16-27(34)35)24-15-23(17-30-18-24)21-5-2-1-3-6-21/h1-3,5-6,15,17-18,20,22,25,29H,4,7-14,16,19H2,(H,31,36)(H,34,35)/t22-,25+/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083465
PNG
((S)-3-{[(R)-1-((E)-3-Piperidin-4-yl-acryloyl)-pyrr...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCN(C1)C(=O)\C=C\C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C21H28N4O4/c26-19(4-3-15-5-9-22-10-6-15)25-11-7-17(14-25)21(29)24-18(12-20(27)28)16-2-1-8-23-13-16/h1-4,8,13,15,17-18,22H,5-7,9-12,14H2,(H,24,29)(H,27,28)/b4-3+/t17-,18+/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083487
PNG
((S)-3-{[(R)-1-([1,4']Bipiperidinyl-4-carbonyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C25H37N5O4/c31-23(32)15-22(19-3-1-9-27-16-19)28-24(33)20-4-2-12-30(17-20)25(34)18-7-13-29(14-8-18)21-5-10-26-11-6-21/h1,3,9,16,18,20-22,26H,2,4-8,10-15,17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083447
PNG
((S)-3-(5-Phenethyl-pyridin-3-yl)-3-{[(R)-1-(3-pipe...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(CCc2ccccc2)c1
Show InChI InChI=1S/C30H40N4O4/c35-28(11-10-23-12-14-31-15-13-23)34-16-4-7-25(21-34)30(38)33-27(18-29(36)37)26-17-24(19-32-20-26)9-8-22-5-2-1-3-6-22/h1-3,5-6,17,19-20,23,25,27,31H,4,7-16,18,21H2,(H,33,38)(H,36,37)/t25-,27+/m1/s1
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n/an/a 0.660n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083448
PNG
((S)-3-({(R)-1-[3-(1-Iminomethyl-piperidin-4-yl)-pr...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCN(CC1)C=N)c1cccnc1
Show InChI InChI=1S/C23H33N5O4/c24-16-27-11-7-17(8-12-27)5-6-21(29)28-10-2-4-19(15-28)23(32)26-20(13-22(30)31)18-3-1-9-25-14-18/h1,3,9,14,16-17,19-20,24H,2,4-8,10-13,15H2,(H,26,32)(H,30,31)/t19-,20+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083483
PNG
((S)-3-{[(R)-1-((E)-3-Piperidin-4-yl-acryloyl)-pipe...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)\C=C\C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H30N4O4/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/h1,3,5-6,9,14,16,18-19,23H,2,4,7-8,10-13,15H2,(H,25,30)(H,28,29)/b6-5+/t18-,19+/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083475
PNG
((S)-3-(5-Phenylethynyl-pyridin-3-yl)-3-{[(R)-1-(3-...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C30H36N4O4/c35-28(11-10-23-12-14-31-15-13-23)34-16-4-7-25(21-34)30(38)33-27(18-29(36)37)26-17-24(19-32-20-26)9-8-22-5-2-1-3-6-22/h1-3,5-6,17,19-20,23,25,27,31H,4,7,10-16,18,21H2,(H,33,38)(H,36,37)/t25-,27+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083462
PNG
(3-{[1-(3-Piperidin-4-yl-propionyl)-piperidine-3-ca...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1cccs1
Show InChI InChI=1S/C26H34N4O4S/c31-24(6-5-18-7-9-27-10-8-18)30-11-1-3-19(17-30)26(34)29-22(14-25(32)33)20-13-21(16-28-15-20)23-4-2-12-35-23/h2,4,12-13,15-16,18-19,22,27H,1,3,5-11,14,17H2,(H,29,34)(H,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083450
PNG
((S)-3-{[(R)-4-(3-Piperidin-4-yl-propionyl)-piperaz...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(CCN1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C21H31N5O4/c27-19(4-3-15-5-8-22-9-6-15)26-11-10-24-18(14-26)21(30)25-17(12-20(28)29)16-2-1-7-23-13-16/h1-2,7,13,15,17-18,22,24H,3-6,8-12,14H2,(H,25,30)(H,28,29)/t17-,18+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083488
PNG
(3-(5-Phenyl-pyridin-3-yl)-3-{[1-(3-piperidin-4-yl-...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C28H36N4O4/c33-26(9-8-20-10-12-29-13-11-20)32-14-4-7-22(19-32)28(36)31-25(16-27(34)35)24-15-23(17-30-18-24)21-5-2-1-3-6-21/h1-3,5-6,15,17-18,20,22,25,29H,4,7-14,16,19H2,(H,31,36)(H,34,35)
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n/an/a 1.80n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083460
PNG
((S)-3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propion...)
Show SMILES CCOC(=O)C[C@H](NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N)C#C
Show InChI InChI=1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083494
PNG
(3-{[1-(3-Piperidin-4-yl-propionyl)-piperidine-3-ca...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccsc1
Show InChI InChI=1S/C26H34N4O4S/c31-24(4-3-18-5-8-27-9-6-18)30-10-1-2-19(16-30)26(34)29-23(13-25(32)33)22-12-21(14-28-15-22)20-7-11-35-17-20/h7,11-12,14-15,17-19,23,27H,1-6,8-10,13,16H2,(H,29,34)(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083461
PNG
(3-{[1-(3-Piperidin-4-yl-propionyl)-piperidine-3-ca...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(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)
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n/an/a 3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083493
PNG
(3-(5-Bromo-pyridin-3-yl)-3-{[1-(3-piperidin-4-yl-p...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(Br)c1
Show InChI InChI=1S/C22H31BrN4O4/c23-18-10-17(12-25-13-18)19(11-21(29)30)26-22(31)16-2-1-9-27(14-16)20(28)4-3-15-5-7-24-8-6-15/h10,12-13,15-16,19,24H,1-9,11,14H2,(H,26,31)(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083459
PNG
(2-Hydroxy-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-p...)
Show SMILES OC(CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C(O)=O
Show InChI InChI=1S/C17H29N3O5/c21-14(17(24)25)10-19-16(23)13-2-1-9-20(11-13)15(22)4-3-12-5-7-18-8-6-12/h12-14,18,21H,1-11H2,(H,19,23)(H,24,25)/t13-,14?/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083489
PNG
(3-[5-(3-Amino-phenyl)-pyridin-3-yl]-3-{[1-(3-piper...)
Show SMILES Nc1cccc(c1)-c1cncc(c1)C(CC(O)=O)NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C28H37N5O4/c29-24-5-1-3-20(14-24)22-13-23(17-31-16-22)25(15-27(35)36)32-28(37)21-4-2-12-33(18-21)26(34)7-6-19-8-10-30-11-9-19/h1,3,5,13-14,16-17,19,21,25,30H,2,4,6-12,15,18,29H2,(H,32,37)(H,35,36)
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n/an/a 3.60n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083468
PNG
((S)-3-(5-Chloro-6-methoxy-pyridin-3-yl)-3-{[(R)-1-...)
Show SMILES COc1ncc(cc1Cl)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C23H33ClN4O5/c1-33-23-18(24)11-17(13-26-23)19(12-21(30)31)27-22(32)16-3-2-10-28(14-16)20(29)5-4-15-6-8-25-9-7-15/h11,13,15-16,19,25H,2-10,12,14H2,1H3,(H,27,32)(H,30,31)/t16-,19+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083454
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES O=C(C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1)OCCC1CCCCC1
Show InChI InChI=1S/C30H46N4O4/c35-28(11-10-24-12-16-31-17-13-24)34-18-5-9-26(22-34)30(37)33-27(25-8-4-15-32-21-25)20-29(36)38-19-14-23-6-2-1-3-7-23/h4,8,15,21,23-24,26-27,31H,1-3,5-7,9-14,16-20,22H2,(H,33,37)/t26-,27+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083452
PNG
(3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-...)
Show SMILES OC(=O)CCNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C17H29N3O4/c21-15(4-3-13-5-8-18-9-6-13)20-11-1-2-14(12-20)17(24)19-10-7-16(22)23/h13-14,18H,1-12H2,(H,19,24)(H,22,23)/t14-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083476
PNG
((S)-6,6-Dimethyl-3-{[(R)-1-(3-piperidin-4-yl-propi...)
Show SMILES CC(C)(C)C#C[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C23H37N3O4/c1-23(2,3)11-8-19(15-21(28)29)25-22(30)18-5-4-14-26(16-18)20(27)7-6-17-9-12-24-13-10-17/h17-19,24H,4-7,9-10,12-16H2,1-3H3,(H,25,30)(H,28,29)/t18-,19-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083473
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C23H34N4O4/c1-31-22(29)14-20(18-4-2-10-25-15-18)26-23(30)19-5-3-13-27(16-19)21(28)7-6-17-8-11-24-12-9-17/h2,4,10,15,17,19-20,24H,3,5-9,11-14,16H2,1H3,(H,26,30)/t19-,20+/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083464
PNG
(3-[5-(3-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-pip...)
Show SMILES COc1cccc(c1)-c1cncc(c1)C(CC(O)=O)NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C29H38N4O5/c1-38-25-6-2-4-21(15-25)23-14-24(18-31-17-23)26(16-28(35)36)32-29(37)22-5-3-13-33(19-22)27(34)8-7-20-9-11-30-12-10-20/h2,4,6,14-15,17-18,20,22,26,30H,3,5,7-13,16,19H2,1H3,(H,32,37)(H,35,36)
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n/an/a 11n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083472
PNG
(3-[5-(4-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-pip...)
Show SMILES COc1ccc(cc1)-c1cncc(c1)C(CC(O)=O)NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C29H38N4O5/c1-38-25-7-5-21(6-8-25)23-15-24(18-31-17-23)26(16-28(35)36)32-29(37)22-3-2-14-33(19-22)27(34)9-4-20-10-12-30-13-11-20/h5-8,15,17-18,20,22,26,30H,2-4,9-14,16,19H2,1H3,(H,32,37)(H,35,36)
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n/an/a 11n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083474
PNG
(3-[5-(2-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-pip...)
Show SMILES COc1ccccc1-c1cncc(c1)C(CC(O)=O)NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C29H38N4O5/c1-38-26-7-3-2-6-24(26)22-15-23(18-31-17-22)25(16-28(35)36)32-29(37)21-5-4-14-33(19-21)27(34)9-8-20-10-12-30-13-11-20/h2-3,6-7,15,17-18,20-21,25,30H,4-5,8-14,16,19H2,1H3,(H,32,37)(H,35,36)
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n/an/a 12n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083463
PNG
((R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES C[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-18(25)15-3-2-10-21(12-15)16(22)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,25)(H,23,24)/t13-,15-/m1/s1
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n/an/a 13.5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083470
PNG
(3-[5-(3-Nitro-phenyl)-pyridin-3-yl]-3-{[1-(3-piper...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H35N5O6/c34-26(7-6-19-8-10-29-11-9-19)32-12-2-4-21(18-32)28(37)31-25(15-27(35)36)23-13-22(16-30-17-23)20-3-1-5-24(14-20)33(38)39/h1,3,5,13-14,16-17,19,21,25,29H,2,4,6-12,15,18H2,(H,31,37)(H,35,36)
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n/an/a 14n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083491
PNG
((2R,3R)-2-Hydroxy-4-phenyl-3-{[(R)-1-(3-piperidin-...)
Show SMILES O[C@H]([C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C(O)=O
Show InChI InChI=1S/C24H35N3O5/c28-21(9-8-17-10-12-25-13-11-17)27-14-4-7-19(16-27)23(30)26-20(22(29)24(31)32)15-18-5-2-1-3-6-18/h1-3,5-6,17,19-20,22,25,29H,4,7-16H2,(H,26,30)(H,31,32)/t19-,20-,22-/m1/s1
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n/an/a 17.9n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083451
PNG
(3-{[1-(3-Piperidin-4-yl-propionyl)-piperidine-3-ca...)
Show SMILES Cc1ccc(cc1)-c1cncc(c1)C(CC(O)=O)NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C29H38N4O4/c1-20-4-7-22(8-5-20)24-15-25(18-31-17-24)26(16-28(35)36)32-29(37)23-3-2-14-33(19-23)27(34)9-6-21-10-12-30-13-11-21/h4-5,7-8,15,17-18,21,23,26,30H,2-3,6,9-14,16,19H2,1H3,(H,32,37)(H,35,36)
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n/an/a 24n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083486
PNG
(3-(5-Naphthalen-1-yl-pyridin-3-yl)-3-{[1-(3-piperi...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H38N4O4/c37-30(11-10-22-12-14-33-15-13-22)36-16-4-7-24(21-36)32(40)35-29(18-31(38)39)26-17-25(19-34-20-26)28-9-3-6-23-5-1-2-8-27(23)28/h1-3,5-6,8-9,17,19-20,22,24,29,33H,4,7,10-16,18,21H2,(H,35,40)(H,38,39)
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n/an/a 26n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083477
PNG
(3-(5-Benzofuran-2-yl-pyridin-3-yl)-3-{[1-(3-piperi...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1cc2ccccc2o1
Show InChI InChI=1S/C30H36N4O5/c35-28(8-7-20-9-11-31-12-10-20)34-13-3-5-22(19-34)30(38)33-25(16-29(36)37)23-14-24(18-32-17-23)27-15-21-4-1-2-6-26(21)39-27/h1-2,4,6,14-15,17-18,20,22,25,31H,3,5,7-13,16,19H2,(H,33,38)(H,36,37)
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n/an/a 36n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083481
PNG
((R)-6,6-Dimethyl-3-{[(R)-1-(3-piperidin-4-yl-propi...)
Show SMILES CC(C)(C)C#C[C@@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C23H37N3O4/c1-23(2,3)11-8-19(15-21(28)29)25-22(30)18-5-4-14-26(16-18)20(27)7-6-17-9-12-24-13-10-17/h17-19,24H,4-7,9-10,12-16H2,1-3H3,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083485
PNG
((R)-3-Benzo[1,3]dioxol-5-yl-3-{[(R)-1-(3-piperidin...)
Show SMILES CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H37N3O6/c1-2-33-25(31)15-21(19-6-7-22-23(14-19)35-17-34-22)28-26(32)20-4-3-13-29(16-20)24(30)8-5-18-9-11-27-12-10-18/h6-7,14,18,20-21,27H,2-5,8-13,15-17H2,1H3,(H,28,32)/t20-,21-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083458
PNG
(3-[5-(5-Chloro-thiophen-2-yl)-pyridin-3-yl]-3-{[1-...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H33ClN4O4S/c27-23-5-4-22(36-23)20-12-19(14-29-15-20)21(13-25(33)34)30-26(35)18-2-1-11-31(16-18)24(32)6-3-17-7-9-28-10-8-17/h4-5,12,14-15,17-18,21,28H,1-3,6-11,13,16H2,(H,30,35)(H,33,34)
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n/an/a 57n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083484
PNG
(3-(5-Naphthalen-2-yl-pyridin-3-yl)-3-{[1-(3-piperi...)
Show SMILES OC(=O)CC(NC(=O)C1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C32H38N4O4/c37-30(10-7-22-11-13-33-14-12-22)36-15-3-6-26(21-36)32(40)35-29(18-31(38)39)28-17-27(19-34-20-28)25-9-8-23-4-1-2-5-24(23)16-25/h1-2,4-5,8-9,16-17,19-20,22,26,29,33H,3,6-7,10-15,18,21H2,(H,35,40)(H,38,39)
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n/an/a 57n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083457
PNG
((R)-3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-3-...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H30ClF3N4O4/c24-17-10-16(23(25,26)27)12-29-21(17)18(11-20(33)34)30-22(35)15-2-1-9-31(13-15)19(32)4-3-14-5-7-28-8-6-14/h10,12,14-15,18,28H,1-9,11,13H2,(H,30,35)(H,33,34)/t15-,18-/m1/s1
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n/an/a 66.8n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.

J Med Chem 42: 5254-65 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%