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PubMed code 1433204

Compile data set for download or QSAR
Found 10 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))		BDBM50230131
PNG
(SKF-107260)
Show SMILES [#6]-[#7]-1-[#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]-c2ccccc2-[#16]-[#16]-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(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)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,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 [3H]-107260 binding to purified Fibrinogen receptor of human platelets

J Med Chem 35: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003330
PNG
((5-{[2-(Benzoyl-methyl-amino)-5-guanidino-pentanoy...)
Show SMILES CN(C(CCCNC(N)=N)C(=O)NCC1=CC(CC(O)=O)C(=O)N(CC1)c1ccccc1)C(=O)c1ccccc1 |t:14|
Show InChI InChI=1S/C29H36N6O5/c1-34(27(39)21-9-4-2-5-10-21)24(13-8-15-32-29(30)31)26(38)33-19-20-14-16-35(23-11-6-3-7-12-23)28(40)22(17-20)18-25(36)37/h2-7,9-12,17,22,24H,8,13-16,18-19H2,1H3,(H,33,38)(H,36,37)(H4,30,31,32)
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 106n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-107260 binding to purified GPIIb/IIIa of human platelets

J Med Chem 35: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50230132
PNG
(CHEMBL324568 | SKF-106760)
Show SMILES [#6]-[#7]-1-[#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]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C21H35N9O8S2/c1-10(31)27-13-9-40-39-8-12(17(22)35)29-18(36)11(6-16(33)34)28-15(32)7-26-19(37)14(30(2)20(13)38)4-3-5-25-21(23)24/h11-14H,3-9H2,1-2H3,(H2,22,35)(H,26,37)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H4,23,24,25)/t11-,12-,13-,14-/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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003329
PNG
((5-{[2-(Acetyl-methyl-amino)-5-guanidino-pentanoyl...)
Show SMILES CN(C(CCCNC(N)=N)C(=O)NCC1=CC(CC(O)=O)C(=O)N(CC1)c1ccccc1)C(C)=O |t:14|
Show InChI InChI=1S/C24H34N6O5/c1-16(31)29(2)20(9-6-11-27-24(25)26)22(34)28-15-17-10-12-30(19-7-4-3-5-8-19)23(35)18(13-17)14-21(32)33/h3-5,7-8,13,18,20H,6,9-12,14-15H2,1-2H3,(H,28,34)(H,32,33)(H4,25,26,27)
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 271n/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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003326
PNG
(3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1
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 3.70E+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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50230131
PNG
(SKF-107260)
Show SMILES [#6]-[#7]-1-[#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]-c2ccccc2-[#16]-[#16]-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(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)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,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 [3H]-107260 binding to purified GPIIb/IIIa of human platelets

J Med Chem 35: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50230132
PNG
(CHEMBL324568 | SKF-106760)
Show SMILES [#6]-[#7]-1-[#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]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C21H35N9O8S2/c1-10(31)27-13-9-40-39-8-12(17(22)35)29-18(36)11(6-16(33)34)28-15(32)7-26-19(37)14(30(2)20(13)38)4-3-5-25-21(23)24/h11-14H,3-9H2,1-2H3,(H2,22,35)(H,26,37)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
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n/an/a 360n/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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003329
PNG
((5-{[2-(Acetyl-methyl-amino)-5-guanidino-pentanoyl...)
Show SMILES CN(C(CCCNC(N)=N)C(=O)NCC1=CC(CC(O)=O)C(=O)N(CC1)c1ccccc1)C(C)=O |t:14|
Show InChI InChI=1S/C24H34N6O5/c1-16(31)29(2)20(9-6-11-27-24(25)26)22(34)28-15-17-10-12-30(19-7-4-3-5-8-19)23(35)18(13-17)14-21(32)33/h3-5,7-8,13,18,20H,6,9-12,14-15H2,1-2H3,(H,28,34)(H,32,33)(H4,25,26,27)
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n/an/a 720n/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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003330
PNG
((5-{[2-(Benzoyl-methyl-amino)-5-guanidino-pentanoy...)
Show SMILES CN(C(CCCNC(N)=N)C(=O)NCC1=CC(CC(O)=O)C(=O)N(CC1)c1ccccc1)C(=O)c1ccccc1 |t:14|
Show InChI InChI=1S/C29H36N6O5/c1-34(27(39)21-9-4-2-5-10-21)24(13-8-15-32-29(30)31)26(38)33-19-20-14-16-35(23-11-6-3-7-12-23)28(40)22(17-20)18-25(36)37/h2-7,9-12,17,22,24H,8,13-16,18-19H2,1H3,(H,33,38)(H,36,37)(H4,30,31,32)
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n/an/a 1.11E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-107260 binding to purified GPIIb/IIIa of human platelets

J Med Chem 35: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50003326
PNG
(3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1
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n/an/a 9.13E+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: 3970-2 (1992)


BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%