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PubMed code 27662032

Compile data set for download or QSAR
Found 33 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))		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/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISA

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210630
PNG
(CHEMBL3929796)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H31N3O5S.ClH/c30-26(31)25(28-35(32,33)24-5-2-1-3-6-24)18-20-7-8-22-19-23(10-9-21(22)17-20)34-16-4-13-29-14-11-27-12-15-29;/h1-3,5-10,17,19,25,27-28H,4,11-16,18H2,(H,30,31);1H
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n/an/a 80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISA

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
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/a 90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210630
PNG
(CHEMBL3929796)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H31N3O5S.ClH/c30-26(31)25(28-35(32,33)24-5-2-1-3-6-24)18-20-7-8-22-19-23(10-9-21(22)17-20)34-16-4-13-29-14-11-27-12-15-29;/h1-3,5-10,17,19,25,27-28H,4,11-16,18H2,(H,30,31);1H
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n/an/a 180n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210673
PNG
(CHEMBL3902930)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H30N4O7S.ClH/c31-26(32)25(28-38(35,36)24-8-5-22(6-9-24)30(33)34)17-19-2-3-21-18-23(7-4-20(21)16-19)37-15-1-12-29-13-10-27-11-14-29;/h2-9,16,18,25,27-28H,1,10-15,17H2,(H,31,32);1H
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n/an/a 200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210680
PNG
(CHEMBL3946875)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN3O5S.ClH/c27-22-5-8-24(9-6-22)36(33,34)29-25(26(31)32)17-19-2-3-21-18-23(7-4-20(21)16-19)35-15-1-12-30-13-10-28-11-14-30;/h2-9,16,18,25,28-29H,1,10-15,17H2,(H,31,32);1H
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n/an/a 280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210688
PNG
(CHEMBL3913603)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C26H30BrN3O5S.ClH/c27-22-5-8-24(9-6-22)36(33,34)29-25(26(31)32)17-19-2-3-21-18-23(7-4-20(21)16-19)35-15-1-12-30-13-10-28-11-14-30;/h2-9,16,18,25,28-29H,1,10-15,17H2,(H,31,32);1H
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n/an/a 370n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210686
PNG
(CHEMBL3956721)
Show SMILES Cl.CCCCS(=O)(=O)NC(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H35N3O5S.ClH/c1-2-3-15-33(30,31)26-23(24(28)29)17-19-5-6-21-18-22(8-7-20(21)16-19)32-14-4-11-27-12-9-25-10-13-27;/h5-8,16,18,23,25-26H,2-4,9-15,17H2,1H3,(H,28,29);1H
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n/an/a 520n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210630
PNG
(CHEMBL3929796)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H31N3O5S.ClH/c30-26(31)25(28-35(32,33)24-5-2-1-3-6-24)18-20-7-8-22-19-23(10-9-21(22)17-20)34-16-4-13-29-14-11-27-12-15-29;/h1-3,5-10,17,19,25,27-28H,4,11-16,18H2,(H,30,31);1H
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n/an/a 530n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of thrombin-induced platelet aggregation preincubated ...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210676
PNG
(CHEMBL3895541)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NS(=O)(=O)c4ccccc4)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O5S.ClH/c28-26(29)20-9-6-18(7-10-20)17-35-23-13-12-21-14-19(8-11-22(21)16-23)15-25(27(31)32)30-36(33,34)24-4-2-1-3-5-24;/h1-14,16,25,30H,15,17H2,(H3,28,29)(H,31,32);1H
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n/an/a 840n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210630
PNG
(CHEMBL3929796)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H31N3O5S.ClH/c30-26(31)25(28-35(32,33)24-5-2-1-3-6-24)18-20-7-8-22-19-23(10-9-21(22)17-20)34-16-4-13-29-14-11-27-12-15-29;/h1-3,5-10,17,19,25,27-28H,4,11-16,18H2,(H,30,31);1H
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n/an/a 1.01E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of U46619-induced platelet aggregation preincubated fo...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210689
PNG
(CHEMBL3977308)
Show SMILES Cl.CCCC(=O)NC(Cc1ccc2cc(OCc3ccc(cc3)C(N)=N)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H27N3O4.ClH/c1-2-3-23(29)28-22(25(30)31)13-17-6-9-20-14-21(11-10-19(20)12-17)32-15-16-4-7-18(8-5-16)24(26)27;/h4-12,14,22H,2-3,13,15H2,1H3,(H3,26,27)(H,28,29)(H,30,31);1H
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n/an/a 1.08E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210630
PNG
(CHEMBL3929796)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H31N3O5S.ClH/c30-26(31)25(28-35(32,33)24-5-2-1-3-6-24)18-20-7-8-22-19-23(10-9-21(22)17-20)34-16-4-13-29-14-11-27-12-15-29;/h1-3,5-10,17,19,25,27-28H,4,11-16,18H2,(H,30,31);1H
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n/an/a 1.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated ...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210676
PNG
(CHEMBL3895541)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NS(=O)(=O)c4ccccc4)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O5S.ClH/c28-26(29)20-9-6-18(7-10-20)17-35-23-13-12-21-14-19(8-11-22(21)16-23)15-25(27(31)32)30-36(33,34)24-4-2-1-3-5-24;/h1-14,16,25,30H,15,17H2,(H3,28,29)(H,31,32);1H
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n/an/a 1.33E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISA

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210679
PNG
(CHEMBL3973895)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)NC(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(O)=O
Show InChI InChI=1S/C27H33N3O6S.ClH/c1-35-23-7-9-25(10-8-23)37(33,34)29-26(27(31)32)18-20-3-4-22-19-24(6-5-21(22)17-20)36-16-2-13-30-14-11-28-12-15-30;/h3-10,17,19,26,28-29H,2,11-16,18H2,1H3,(H,31,32);1H
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n/an/a 1.65E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210631
PNG
(CHEMBL3968819)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NC(=O)c4ccc(cc4)[N+]([O-])=O)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C28H24N4O6.ClH/c29-26(30)19-4-1-17(2-5-19)16-38-24-12-9-21-13-18(3-6-22(21)15-24)14-25(28(34)35)31-27(33)20-7-10-23(11-8-20)32(36)37;/h1-13,15,25H,14,16H2,(H3,29,30)(H,31,33)(H,34,35);1H
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n/an/a 2.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210677
PNG
(CHEMBL3948531)
Show SMILES Cl.CCCCS(=O)(=O)NC(Cc1ccc2cc(OCc3ccc(cc3)C(N)=N)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H29N3O5S.ClH/c1-2-3-12-34(31,32)28-23(25(29)30)14-18-6-9-21-15-22(11-10-20(21)13-18)33-16-17-4-7-19(8-5-17)24(26)27;/h4-11,13,15,23,28H,2-3,12,14,16H2,1H3,(H3,26,27)(H,29,30);1H
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n/an/a 3.29E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210674
PNG
(CHEMBL3970157)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O6.ClH/c32-26(20-4-7-23(8-5-20)31(35)36)29-25(27(33)34)17-19-2-3-22-18-24(9-6-21(22)16-19)37-15-1-12-30-13-10-28-11-14-30;/h2-9,16,18,25,28H,1,10-15,17H2,(H,29,32)(H,33,34);1H
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n/an/a 3.40E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210678
PNG
(CHEMBL3923533)
Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccc2cc(OCc3ccc(cc3)C(N)=N)ccc2c1)C(O)=O
Show InChI InChI=1S/C28H27N3O5S.ClH/c1-18-2-12-25(13-3-18)37(34,35)31-26(28(32)33)15-20-6-9-23-16-24(11-10-22(23)14-20)36-17-19-4-7-21(8-5-19)27(29)30;/h2-14,16,26,31H,15,17H2,1H3,(H3,29,30)(H,32,33);1H
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n/an/a 4.01E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210629
PNG
(CHEMBL3892875)
Show SMILES Cl.CCCC(=O)NC(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H33N3O4.ClH/c1-2-4-23(28)26-22(24(29)30)16-18-5-6-20-17-21(8-7-19(20)15-18)31-14-3-11-27-12-9-25-10-13-27;/h5-8,15,17,22,25H,2-4,9-14,16H2,1H3,(H,26,28)(H,29,30);1H
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n/an/a 5.40E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210682
PNG
(CHEMBL3892855)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C27H30FN3O4.ClH/c28-23-4-1-3-22(17-23)26(32)30-25(27(33)34)16-19-5-6-21-18-24(8-7-20(21)15-19)35-14-2-11-31-12-9-29-10-13-31;/h1,3-8,15,17-18,25,29H,2,9-14,16H2,(H,30,32)(H,33,34);1H
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n/an/a 6.38E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210691
PNG
(CHEMBL3910876)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H30FN3O4.ClH/c28-23-7-4-20(5-8-23)26(32)30-25(27(33)34)17-19-2-3-22-18-24(9-6-21(22)16-19)35-15-1-12-31-13-10-29-11-14-31;/h2-9,16,18,25,29H,1,10-15,17H2,(H,30,32)(H,33,34);1H
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n/an/a 7.60E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210683
PNG
(CHEMBL3904616)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H31N3O4.ClH/c31-26(21-5-2-1-3-6-21)29-25(27(32)33)18-20-7-8-23-19-24(10-9-22(23)17-20)34-16-4-13-30-14-11-28-12-15-30;/h1-3,5-10,17,19,25,28H,4,11-16,18H2,(H,29,31)(H,32,33);1H
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n/an/a 7.90E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210681
PNG
(CHEMBL3971219)
Show SMILES Cl.COc1ccc(cc1)C(=O)NC(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(O)=O
Show InChI InChI=1S/C28H33N3O5.ClH/c1-35-24-8-5-21(6-9-24)27(32)30-26(28(33)34)18-20-3-4-23-19-25(10-7-22(23)17-20)36-16-2-13-31-14-11-29-12-15-31;/h3-10,17,19,26,29H,2,11-16,18H2,1H3,(H,30,32)(H,33,34);1H
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n/an/a 1.27E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210675
PNG
(CHEMBL3983425)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C25H28BrN3O5S.ClH/c26-21-4-7-23(8-5-21)35(32,33)28-24(25(30)31)16-18-1-2-20-17-22(6-3-19(20)15-18)34-14-13-29-11-9-27-10-12-29;/h1-8,15,17,24,27-28H,9-14,16H2,(H,30,31);1H
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n/an/a 1.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210687
PNG
(CHEMBL3910084)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCCN3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O5S.ClH/c28-23-6-9-25(10-7-23)37(34,35)30-26(27(32)33)18-20-3-4-22-19-24(8-5-21(22)17-20)36-16-2-1-13-31-14-11-29-12-15-31;/h3-10,17,19,26,29-30H,1-2,11-16,18H2,(H,32,33);1H
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n/an/a 1.88E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210676
PNG
(CHEMBL3895541)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NS(=O)(=O)c4ccccc4)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O5S.ClH/c28-26(29)20-9-6-18(7-10-20)17-35-23-13-12-21-14-19(8-11-22(21)16-23)15-25(27(31)32)30-36(33,34)24-4-2-1-3-5-24;/h1-14,16,25,30H,15,17H2,(H3,28,29)(H,31,32);1H
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n/an/a 2.29E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of thrombin-induced platelet aggregation preincubated ...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210676
PNG
(CHEMBL3895541)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NS(=O)(=O)c4ccccc4)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O5S.ClH/c28-26(29)20-9-6-18(7-10-20)17-35-23-13-12-21-14-19(8-11-22(21)16-23)15-25(27(31)32)30-36(33,34)24-4-2-1-3-5-24;/h1-14,16,25,30H,15,17H2,(H3,28,29)(H,31,32);1H
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n/an/a 2.36E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of U46619-induced platelet aggregation preincubated fo...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210632
PNG
(CHEMBL3947602)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H29Cl2N3O4.ClH/c28-22-14-21(15-23(29)17-22)26(33)31-25(27(34)35)13-18-2-3-20-16-24(5-4-19(20)12-18)36-11-1-8-32-9-6-30-7-10-32;/h2-5,12,14-17,25,30H,1,6-11,13H2,(H,31,33)(H,34,35);1H
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n/an/a 2.46E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210676
PNG
(CHEMBL3895541)
Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(CC(NS(=O)(=O)c4ccccc4)C(O)=O)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O5S.ClH/c28-26(29)20-9-6-18(7-10-20)17-35-23-13-12-21-14-19(8-11-22(21)16-23)15-25(27(31)32)30-36(33,34)24-4-2-1-3-5-24;/h1-14,16,25,30H,15,17H2,(H3,28,29)(H,31,32);1H
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n/an/a 2.77E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated ...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210690
PNG
(CHEMBL3931514)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCC3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C25H27BrN2O5S.ClH/c26-21-4-7-23(8-5-21)34(31,32)28-24(25(29)30)14-18-1-2-20-15-22(6-3-19(20)13-18)33-16-17-9-11-27-12-10-17;/h1-8,13,15,17,24,27-28H,9-12,14,16H2,(H,29,30);1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210684
PNG
(CHEMBL3894590)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCC3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C26H29BrN2O5S.ClH/c27-22-4-7-24(8-5-22)35(32,33)29-25(26(30)31)16-19-1-2-21-17-23(6-3-20(21)15-19)34-14-11-18-9-12-28-13-10-18;/h1-8,15,17-18,25,28-29H,9-14,16H2,(H,30,31);1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50210685
PNG
(CHEMBL3922603)
Show SMILES Cl.OC(=O)C(Cc1ccc2cc(OCCCC3CCNCC3)ccc2c1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H31BrN2O5S.ClH/c28-23-6-9-25(10-7-23)36(33,34)30-26(27(31)32)17-20-3-4-22-18-24(8-5-21(22)16-20)35-15-1-2-19-11-13-29-14-12-19;/h3-10,16,18-19,26,29-30H,1-2,11-15,17H2,(H,31,32);1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...

Eur J Med Chem 125: 197-209 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.032
BindingDB Entry DOI: 10.7270/Q2028TH0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%