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PubMed code 26298494

Compile data set for download or QSAR
Found 18 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))		BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor (unknown origin) assessed as inhibition of interaction with fibrinogen after 2 hrs by ELISA

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50498775
PNG
(CHEMBL3622610)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O6/c21-16(26)8-14(24-18(28)13-5-6-17(27)23-13)19(29)25-15(20(30)31)7-10-9-22-12-4-2-1-3-11(10)12/h1-4,9,13-15,22H,5-8H2,(H2,21,26)(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t13-,14-,15-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor (unknown origin) assessed as inhibition of interaction with fibrinogen after 2 hrs by ELISA

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498778
PNG
(CHEMBL3623207)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C26H32BrN3O5S/c27-20-4-7-22(8-5-20)36(33,34)30-25(26(31)32)15-19-17-29-24-9-6-21(16-23(19)24)35-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-30H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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n/an/a 2.48E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498783
PNG
(CHEMBL3623202)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NC(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C27H31Cl2N3O4/c28-20-11-18(12-21(29)14-20)26(33)32-25(27(34)35)13-19-16-31-24-5-4-22(15-23(19)24)36-10-2-1-3-17-6-8-30-9-7-17/h4-5,11-12,14-17,25,30-31H,1-3,6-10,13H2,(H,32,33)(H,34,35)/t25-/m0/s1
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n/an/a 8.65E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498781
PNG
(CHEMBL3623205)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H32FN3O5S/c27-20-4-7-22(8-5-20)36(33,34)30-25(26(31)32)15-19-17-29-24-9-6-21(16-23(19)24)35-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-30H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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n/an/a 9.31E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498779
PNG
(CHEMBL3623201)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O4/c28-21-6-4-19(5-7-21)26(32)31-25(27(33)34)15-20-17-30-24-9-8-22(16-23(20)24)35-14-2-1-3-18-10-12-29-13-11-18/h4-9,16-18,25,29-30H,1-3,10-15H2,(H,31,32)(H,33,34)/t25-/m0/s1
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n/an/a 9.44E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Glycoprotein IIb/Integrin beta


(Oryctolagus cuniculus)		BDBM50498772
PNG
(CHEMBL3623197)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H33N3O5S/c30-26(31)25(29-35(32,33)22-7-2-1-3-8-22)16-20-18-28-24-10-9-21(17-23(20)24)34-15-5-4-6-19-11-13-27-14-12-19/h1-3,7-10,17-19,25,27-29H,4-6,11-16H2,(H,30,31)/t25-/m0/s1
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n/an/a 9.57E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498777
PNG
(CHEMBL3623200)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H32FN3O4/c28-21-6-3-5-19(14-21)26(32)31-25(27(33)34)15-20-17-30-24-8-7-22(16-23(20)24)35-13-2-1-4-18-9-11-29-12-10-18/h3,5-8,14,16-18,25,29-30H,1-2,4,9-13,15H2,(H,31,32)(H,33,34)/t25-/m0/s1
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n/an/a 9.61E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498773
PNG
(CHEMBL3623206)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C27H35N3O5S/c1-19-5-8-23(9-6-19)36(33,34)30-26(27(31)32)16-21-18-29-25-10-7-22(17-24(21)25)35-15-3-2-4-20-11-13-28-14-12-20/h5-10,17-18,20,26,28-30H,2-4,11-16H2,1H3,(H,31,32)/t26-/m0/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498778
PNG
(CHEMBL3623207)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C26H32BrN3O5S/c27-20-4-7-22(8-5-20)36(33,34)30-25(26(31)32)15-19-17-29-24-9-6-21(16-23(19)24)35-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-30H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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n/an/a 1.24E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of thrombin-induced platelet aggregation pr...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498782
PNG
(CHEMBL3623204)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C26H32N4O7S/c31-26(32)25(29-38(35,36)22-7-4-20(5-8-22)30(33)34)15-19-17-28-24-9-6-21(16-23(19)24)37-14-2-1-3-18-10-12-27-13-11-18/h4-9,16-18,25,27-29H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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n/an/a 4.25E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498780
PNG
(CHEMBL3623199)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C27H32N4O6/c32-26(19-4-6-21(7-5-19)31(35)36)30-25(27(33)34)15-20-17-29-24-9-8-22(16-23(20)24)37-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-29H,1-3,10-15H2,(H,30,32)(H,33,34)/t25-/m0/s1
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n/an/a 4.88E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498776
PNG
(CHEMBL3623198)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C28H35N3O5/c1-35-22-7-5-20(6-8-22)27(32)31-26(28(33)34)16-21-18-30-25-10-9-23(17-24(21)25)36-15-3-2-4-19-11-13-29-14-12-19/h5-10,17-19,26,29-30H,2-4,11-16H2,1H3,(H,31,32)(H,33,34)/t26-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498784
PNG
(CHEMBL3623193)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N3O4/c31-26(20-7-2-1-3-8-20)30-25(27(32)33)16-21-18-29-24-10-9-22(17-23(21)24)34-15-5-4-6-19-11-13-28-14-12-19/h1-3,7-10,17-19,25,28-29H,4-6,11-16H2,(H,30,31)(H,32,33)/t25-/m0/s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498775
PNG
(CHEMBL3622610)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O6/c21-16(26)8-14(24-18(28)13-5-6-17(27)23-13)19(29)25-15(20(30)31)7-10-9-22-12-4-2-1-3-11(10)12/h1-4,9,13-15,22H,5-8H2,(H2,21,26)(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t13-,14-,15-/m0/s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498774
PNG
(CHEMBL3623203)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C27H35N3O6S/c1-35-21-5-8-23(9-6-21)37(33,34)30-26(27(31)32)16-20-18-29-25-10-7-22(17-24(20)25)36-15-3-2-4-19-11-13-28-14-12-19/h5-10,17-19,26,28-30H,2-4,11-16H2,1H3,(H,31,32)/t26-/m0/s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincu...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498778
PNG
(CHEMBL3623207)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C26H32BrN3O5S/c27-20-4-7-22(8-5-20)36(33,34)30-25(26(31)32)15-19-17-29-24-9-6-21(16-23(19)24)35-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-30H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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n/an/a 5.90E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of U46619-induced platelet aggregation prei...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
Integrin beta


(Oryctolagus cuniculus)		BDBM50498778
PNG
(CHEMBL3623207)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C26H32BrN3O5S/c27-20-4-7-22(8-5-20)36(33,34)30-25(26(31)32)15-19-17-29-24-9-6-21(16-23(19)24)35-14-2-1-3-18-10-12-28-13-11-18/h4-9,16-18,25,28-30H,1-3,10-15H2,(H,31,32)/t25-/m0/s1
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UniChem
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n/an/a 6.83E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of collagen-induced platelet aggregation pr...

Eur J Med Chem 102: 363-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.016
BindingDB Entry DOI: 10.7270/Q22J6FVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%