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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))
BDBM50003327
PNG
(CHEMBL128299 | [13-(3-Guanidino-propyl)-14-methyl-...)
Show SMILES CN1C(CCCNC(N)=N)C(=O)NCC(=O)NC(CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=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)
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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 GPIIb/IIIa of human platelets


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421970
PNG
(CHEMBL2110358 | SKF-106760)
Show SMILES CN1[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)SSC[C@H](NCC(C)=O)C1=O
Show InChI InChI=1S/C24H41N9O8S2/c1-12(34)9-29-14-11-42-43-24(2,3)18(19(25)38)32-20(39)13(8-17(36)37)31-16(35)10-30-21(40)15(33(4)22(14)41)6-5-7-28-23(26)27/h13-15,18,29H,5-11H2,1-4H3,(H2,25,38)(H,30,40)(H,31,35)(H,32,39)(H,36,37)(H4,26,27,28)/t13-,14-,15-,18-/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 [3H]-107260 binding to purified GPIIb/IIIa of human platelets


Citation and Details
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
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 [3H]-107260 binding to purified GPIIb/IIIa of human platelets


Citation and Details
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 [3H]-107260 binding to purified Fibrinogen receptor of human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003327
PNG
(CHEMBL128299 | [13-(3-Guanidino-propyl)-14-methyl-...)
Show SMILES CN1C(CCCNC(N)=N)C(=O)NCC(=O)NC(CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=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)
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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


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421970
PNG
(CHEMBL2110358 | SKF-106760)
Show SMILES CN1[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)SSC[C@H](NCC(C)=O)C1=O
Show InChI InChI=1S/C24H41N9O8S2/c1-12(34)9-29-14-11-42-43-24(2,3)18(19(25)38)32-20(39)13(8-17(36)37)31-16(35)10-30-21(40)15(33(4)22(14)41)6-5-7-28-23(26)27/h13-15,18,29H,5-11H2,1-4H3,(H2,25,38)(H,30,40)(H,31,35)(H,32,39)(H,36,37)(H4,26,27,28)/t13-,14-,15-,18-/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


Citation and Details
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
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


Citation and Details
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
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 ADP-induced platelet aggregation in canine platelet-rich plasma


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%