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PubMed code 1433203

Compile data set for download or QSAR
Found 20 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))		BDBM50003319
PNG
(3-(2-{5-Guanidino-2-[(2-mercapto-benzoyl)-methyl-a...)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S)C(=O)c1ccccc1S
Show InChI InChI=1S/C26H33N7O6S2/c1-33(25(39)15-7-2-4-10-19(15)40)18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41/h2-5,7-8,10-11,17-18,40-41H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
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 4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003322
PNG
(3-(2-{2-[(2-Acetylamino-3-mercapto-propionyl)-meth...)
Show SMILES CN([C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S)C(=O)[C@H](CS)NC(C)=O
Show InChI InChI=1S/C23H41N9O8S2/c1-11(33)29-13(10-41)21(40)32(4)14(6-5-7-27-22(25)26)20(39)28-9-15(34)30-12(8-16(35)36)19(38)31-17(18(24)37)23(2,3)42/h12-14,17,41-42H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m0/s1
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 175n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003317
PNG
(CHEMBL339832 | [18-(3-Guanidino-propyl)-2,8,11,14,...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)21(39)29-12-18(35)32-8-3-6-16(32)23(41)33-9-2-5-15(33)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15+,16-/m1/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003321
PNG
(3-{2-[2-(2-Acetylamino-3-mercapto-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S
Show InChI InChI=1S/C22H39N9O8S2/c1-10(32)28-13(9-40)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-16(17(23)36)22(2,3)41/h11-13,16,40-41H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12-,13-,16+/m0/s1
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 3.13E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003325
PNG
(3-{2-[2-(2-Acetylamino-3-mercapto-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S
Show InChI InChI=1S/C22H39N9O8S2/c1-10(32)28-13(9-40)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-16(17(23)36)22(2,3)41/h11-13,16,40-41H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12+,13+,16-/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to GPIIb/IIIa from human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003315
PNG
(CHEMBL421247 | [5-Benzyl-17-(3-guanidino-propyl)-4...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C28H39N9O8/c29-28(30)31-10-4-8-17-24(42)32-14-21(38)34-18(13-23(40)41)25(43)33-15-22(39)35-19(12-16-6-2-1-3-7-16)27(45)37-11-5-9-20(37)26(44)36-17/h1-3,6-7,17-20H,4-5,8-15H2,(H,32,42)(H,33,43)(H,34,38)(H,35,39)(H,36,44)(H,40,41)(H4,29,30,31)/t17-,18-,19-,20+/m1/s1
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 1.85E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003314
PNG
(CHEMBL129782 | [18-(3-Guanidino-propyl)-2,5,11,14,...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)23(41)33-9-3-5-15(33)21(39)29-12-18(35)32-8-2-6-16(32)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15+,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003319
PNG
(3-(2-{5-Guanidino-2-[(2-mercapto-benzoyl)-methyl-a...)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S)C(=O)c1ccccc1S
Show InChI InChI=1S/C26H33N7O6S2/c1-33(25(39)15-7-2-4-10-19(15)40)18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41/h2-5,7-8,10-11,17-18,40-41H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003316
PNG
(3-{2-[5-Guanidino-2-(2-mercapto-benzoylamino)-pent...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccccc1S)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S
Show InChI InChI=1S/C25H31N7O6S2/c26-25(27)28-11-5-8-16(32-22(36)14-6-1-3-9-18(14)39)23(37)29-13-20(33)30-17(12-21(34)35)24(38)31-15-7-2-4-10-19(15)40/h1-4,6-7,9-10,16-17,39-40H,5,8,11-13H2,(H,29,37)(H,30,33)(H,31,38)(H,32,36)(H,34,35)(H4,26,27,28)/t16-,17-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to GPIIb/IIIa from human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003322
PNG
(3-(2-{2-[(2-Acetylamino-3-mercapto-propionyl)-meth...)
Show SMILES CN([C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S)C(=O)[C@H](CS)NC(C)=O
Show InChI InChI=1S/C23H41N9O8S2/c1-11(33)29-13(10-41)21(40)32(4)14(6-5-7-27-22(25)26)20(39)28-9-15(34)30-12(8-16(35)36)19(38)31-17(18(24)37)23(2,3)42/h12-14,17,41-42H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m0/s1
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n/an/a 355n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to Fibrinogen Receptor from human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003318
PNG
(3-(2-{2-[(2-Acetylamino-3-mercapto-propionyl)-meth...)
Show SMILES CN([C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S)C(=O)[C@H](CS)NC(C)=O
Show InChI InChI=1S/C23H41N9O8S2/c1-11(33)29-13(10-41)21(40)32(4)14(6-5-7-27-22(25)26)20(39)28-9-15(34)30-12(8-16(35)36)19(38)31-17(18(24)37)23(2,3)42/h12-14,17,41-42H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14+,17+/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to fibrinogen receptor of human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003325
PNG
(3-{2-[2-(2-Acetylamino-3-mercapto-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S
Show InChI InChI=1S/C22H39N9O8S2/c1-10(32)28-13(9-40)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-16(17(23)36)22(2,3)41/h11-13,16,40-41H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12+,13+,16-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003313
PNG
(3-{2-[2-(2-Acetylamino-3-mercapto-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)S
Show InChI InChI=1S/C22H39N9O8S2/c1-10(32)28-13(9-40)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-16(17(23)36)22(2,3)41/h11-13,16,40-41H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12-,13-,16-/m0/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003317
PNG
(CHEMBL339832 | [18-(3-Guanidino-propyl)-2,8,11,14,...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)21(39)29-12-18(35)32-8-3-6-16(32)23(41)33-9-2-5-15(33)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15+,16-/m1/s1
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n/an/a 5.26E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to fibrinogen receptor of human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003323
PNG
(3-[2-(2-{2-[2-(2-Amino-acetylamino)-3-mercapto-3-m...)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)CN)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C35H59N13O14S2/c1-16(33(61)62)42-29(57)20(15-63)46-30(58)21-7-5-9-48(21)32(60)19(14-49)45-28(56)18(10-25(53)54)44-24(52)12-40-27(55)17(6-4-8-39-34(37)38)43-23(51)13-41-31(59)26(35(2,3)64)47-22(50)11-36/h16-21,26,49,63-64H,4-15,36H2,1-3H3,(H,40,55)(H,41,59)(H,42,57)(H,43,51)(H,44,52)(H,45,56)(H,46,58)(H,47,50)(H,53,54)(H,61,62)(H4,37,38,39)/t16-,17-,18-,19-,20-,21-,26+/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to GPIIb/IIIa from human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003315
PNG
(CHEMBL421247 | [5-Benzyl-17-(3-guanidino-propyl)-4...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C28H39N9O8/c29-28(30)31-10-4-8-17-24(42)32-14-21(38)34-18(13-23(40)41)25(43)33-15-22(39)35-19(12-16-6-2-1-3-7-16)27(45)37-11-5-9-20(37)26(44)36-17/h1-3,6-7,17-20H,4-5,8-15H2,(H,32,42)(H,33,43)(H,34,38)(H,35,39)(H,36,44)(H,40,41)(H4,29,30,31)/t17-,18-,19-,20+/m1/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mba-(N-Me)Arg-Gly-Asp-Man binding to fibrinogen receptor of human platelets reconstituted in liposomes

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003321
PNG
(3-{2-[2-(2-Acetylamino-3-mercapto-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N)=O)C(C)(C)S
Show InChI InChI=1S/C22H39N9O8S2/c1-10(32)28-13(9-40)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-16(17(23)36)22(2,3)41/h11-13,16,40-41H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12-,13-,16+/m0/s1
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n/an/a 2.03E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003314
PNG
(CHEMBL129782 | [18-(3-Guanidino-propyl)-2,5,11,14,...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)23(41)33-9-3-5-15(33)21(39)29-12-18(35)32-8-2-6-16(32)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15+,16+/m1/s1
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n/an/a 7.66E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003324
PNG
(CHEMBL384237 | [3,21-Dibenzyl-24-carboxymethyl-12,...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C52H72N16O14/c53-51(54)57-19-7-15-31-43(75)60-28-40(70)62-34(26-42(73)74)46(78)66-36(24-30-13-5-2-6-14-30)50(82)68-22-10-18-38(68)48(80)64-32(16-8-20-58-52(55)56)44(76)59-27-39(69)61-33(25-41(71)72)45(77)65-35(23-29-11-3-1-4-12-29)49(81)67-21-9-17-37(67)47(79)63-31/h1-6,11-14,31-38H,7-10,15-28H2,(H,59,76)(H,60,75)(H,61,69)(H,62,70)(H,63,79)(H,64,80)(H,65,77)(H,66,78)(H,71,72)(H,73,74)(H4,53,54,57)(H4,55,56,58)/t31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003320
PNG
(CHEMBL450009 | [15-(3-Guanidino-propyl)-2,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-18(35)31-14(10-19(36)37)22(40)33-9-3-6-16(33)23(41)32-8-2-5-15(32)21(39)29-12-17(34)30-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,35)(H,36,37)(H4,25,26,27)/t13-,14-,15-,16+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma

J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%