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PubMed code 1920361

Compile data set for download or QSAR
Found 52 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))		BDBM50010161
PNG
(CHEMBL2370397 | [16-Acetylamino-4-carbamoyl-13-(3-...)
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](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,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+/m1/s1
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 58n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010161
PNG
(CHEMBL2370397 | [16-Acetylamino-4-carbamoyl-13-(3-...)
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](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,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+/m1/s1
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 62n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50040751
PNG
(CHEMBL351938 | [(4S,7S,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-13-9-40-41-22(2,3)16(17(23)36)31-19(38)12(7-15(34)35)29-14(33)8-27-18(37)11(30-20(13)39)5-4-6-26-21(24)25/h11-13,16H,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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 720n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010176
PNG
(CHEMBL107009 | [(4S,7R,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C20H33N9O8S2/c1-9(30)26-13-8-39-38-7-12(16(21)34)29-18(36)11(5-15(32)33)27-14(31)6-25-17(35)10(28-19(13)37)3-2-4-24-20(22)23/h10-13H,2-8H2,1H3,(H2,21,34)(H,25,35)(H,26,30)(H,27,31)(H,28,37)(H,29,36)(H,32,33)(H4,22,23,24)/t10-,11-,12-,13-/m1/s1
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 780n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
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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 4.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010187
PNG
(CHEMBL320288 | [19-Acetylamino-4-carbamoyl-16-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H38N10O10S2/c1-10(35)29-15-9-45-44-8-14(18(24)39)33-21(42)13(7-34)32-20(41)12(5-17(37)38)30-16(36)6-28-19(40)11(31-22(15)43)3-2-4-27-23(25)26/h11-15,34H,2-9H2,1H3,(H2,24,39)(H,28,40)(H,29,35)(H,30,36)(H,31,43)(H,32,41)(H,33,42)(H,37,38)(H4,25,26,27)/t11-,12-,13+,14+,15-/m1/s1
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 5.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010184
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H34N8O7/c1-9(2)15(16(20)32)27-18(34)12(7-14(30)31)26-13(29)8-24-17(33)11(25-10(3)28)5-4-6-23-19(21)22/h9,11-12,15H,4-8H2,1-3H3,(H2,20,32)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t11-,12-,15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010167
PNG
(1N-[1-[5-amino-1-formyl-(1S)-pentylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H82N18O17/c1-25(2)14-34(68-50(84)36(16-31-19-56-24-61-31)69-49(83)35(64-29(7)71)15-30-18-55-23-60-30)46(80)59-20-39(73)57-21-40(74)62-28(6)45(79)66-32(10-8-9-13-53)48(82)67-33(11-12-38(54)72)47(81)63-27(5)44(78)58-22-41(75)65-37(17-42(76)77)51(85)70-43(26(3)4)52(86)87/h18-19,23-28,32-37,43H,8-17,20-22,53H2,1-7H3,(H2,54,72)(H,55,60)(H,56,61)(H,57,73)(H,58,78)(H,59,80)(H,62,74)(H,63,81)(H,64,71)(H,65,75)(H,66,79)(H,67,82)(H,68,84)(H,69,83)(H,70,85)(H,76,77)(H,86,87)/t27-,28-,32-,33-,34-,35-,36-,37-,43-/m0/s1
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 1.45E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
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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 6.20E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010161
PNG
(CHEMBL2370397 | [16-Acetylamino-4-carbamoyl-13-(3-...)
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](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,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+/m1/s1
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n/an/a 355n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010193
PNG
(CHEMBL2370407 | [16-Acetylamino-4-carbamoyl-13-(3-...)
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](-[#7])=O)C([#6])([#6])[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O
Show InChI InChI=1S/C25H43N9O8S2/c1-12(35)31-18-22(42)34(6)14(8-7-9-29-23(27)28)21(41)30-11-15(36)32-13(10-16(37)38)20(40)33-17(19(26)39)24(2,3)43-44-25(18,4)5/h13-14,17-18H,7-11H2,1-6H3,(H2,26,39)(H,30,41)(H,31,35)(H,32,36)(H,33,40)(H,37,38)(H4,27,28,29)/t13-,14-,17-,18-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50040751
PNG
(CHEMBL351938 | [(4S,7S,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-13-9-40-41-22(2,3)16(17(23)36)31-19(38)12(7-15(34)35)29-14(33)8-27-18(37)11(30-20(13)39)5-4-6-26-21(24)25/h11-13,16H,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 Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50421884
PNG
(CHEMBL2110309)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-13-9-40-41-22(2,3)16(17(23)36)31-19(38)12(7-15(34)35)29-14(33)8-27-18(37)11(30-20(13)39)5-4-6-26-21(24)25/h11-13,16H,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 Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010171
PNG
(CHEMBL2370393 | [16-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H]1-[#6](=O)-[#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]-[#16]-[#16]C1([#6])[#6])-[#6](-[#7])=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-16-20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-13(17(23)36)9-40-41-22(16,2)3/h11-13,16H,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 7.97E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010179
PNG
(1N-[1-formyl-(1S)-ethylcarbamoylmethylcarbamoylmet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:4.4,61.90,45.46,65.67,18.26,77.79,wD:54.55,8.15,40.42,(6.33,-3.82,;4.7,-3.65,;4.8,-2.12,;3.32,-4.35,;3.23,-5.89,;1.84,-6.58,;.56,-5.72,;.66,-4.19,;-.82,-6.4,;-.92,-7.96,;.36,-8.8,;.43,-10.35,;1.91,-10.75,;2.77,-9.48,;1.7,-8.1,;-2.11,-5.56,;-3.5,-6.24,;-3.59,-7.79,;-4.77,-5.39,;-4.68,-3.86,;-3.31,-3.16,;-2.01,-3.58,;-.84,-2.81,;-1.52,-1.42,;-3.05,-1.65,;-6.16,-6.09,;-7.45,-5.23,;-8.83,-5.91,;-7.35,-3.69,;4.51,-6.73,;4.42,-8.29,;5.9,-6.05,;7.18,-6.9,;8.57,-6.22,;8.66,-4.68,;9.85,-7.08,;11.22,-6.38,;12.52,-7.23,;12.42,-8.78,;13.9,-6.55,;15.19,-7.41,;15.1,-8.94,;16.56,-6.71,;16.66,-5.17,;17.86,-7.56,;19.24,-6.87,;19.34,-5.34,;20.72,-4.66,;20.81,-3.11,;22.18,-2.42,;22.28,-.88,;20.51,-7.72,;20.42,-9.27,;21.9,-7.04,;23.19,-7.89,;22.58,-9.31,;22.54,-10.86,;23.05,-12.31,;24.06,-13.48,;22.62,-14.05,;23.83,-15.01,;25.42,-14.21,;26.96,-14.4,;28.45,-14.02,;28.9,-14.8,;29.71,-13.14,;30.81,-14.21,;30.44,-15.71,;28.95,-16.13,;31.54,-16.77,;30.55,-11.85,;30.88,-10.35,;32.43,-10.39,;30.65,-8.82,;29.89,-7.49,;28.67,-6.51,;29.4,-5.15,;27.21,-6.05,;27.4,-4.51,;28.81,-3.91,;29,-2.38,;30.43,-1.77,;30.62,-.24,;32.04,.35,;29.39,.67,;25.66,-6.15,;24.27,-6.78,;23.37,-5.53,;24.95,-15.69,;25.99,-16.82,;23.44,-16.01,)|
Show InChI InChI=1S/C53H85N21O15S2/c1-26(2)14-33(71-49(87)35(16-30-19-59-25-65-30)72-48(86)34(67-28(4)75)15-29-18-58-24-64-29)46(84)62-20-38(76)61-21-39(77)66-27(3)44(82)69-32(10-7-8-12-54)47(85)73-37-23-90-91-53(5,6)42(43(55)81)74-50(88)36(17-41(79)80)68-40(78)22-63-45(83)31(70-51(37)89)11-9-13-60-52(56)57/h18-19,24-27,31-37,42H,7-17,20-23,54H2,1-6H3,(H2,55,81)(H,58,64)(H,59,65)(H,61,76)(H,62,84)(H,63,83)(H,66,77)(H,67,75)(H,68,78)(H,69,82)(H,70,89)(H,71,87)(H,72,86)(H,73,85)(H,74,88)(H,79,80)(H4,56,57,60)/t27-,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010177
PNG
(CHEMBL2370394 | [19-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C24H40N10O9S2/c1-11(35)31-14-10-44-45-24(2,3)18(19(25)40)34-22(43)13(7-17(38)39)33-16(37)9-29-20(41)12(5-4-6-28-23(26)27)32-15(36)8-30-21(14)42/h12-14,18H,4-10H2,1-3H3,(H2,25,40)(H,29,41)(H,30,42)(H,31,35)(H,32,36)(H,33,37)(H,34,43)(H,38,39)(H4,26,27,28)/t12-,13-,14+,18-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010176
PNG
(CHEMBL107009 | [(4S,7R,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C20H33N9O8S2/c1-9(30)26-13-8-39-38-7-12(16(21)34)29-18(36)11(5-15(32)33)27-14(31)6-25-17(35)10(28-19(13)37)3-2-4-24-20(22)23/h10-13H,2-8H2,1H3,(H2,21,34)(H,25,35)(H,26,30)(H,27,31)(H,28,37)(H,29,36)(H,32,33)(H4,22,23,24)/t10-,11-,12-,13-/m1/s1
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n/an/a 1.62E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010187
PNG
(CHEMBL320288 | [19-Acetylamino-4-carbamoyl-16-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H38N10O10S2/c1-10(35)29-15-9-45-44-8-14(18(24)39)33-21(42)13(7-34)32-20(41)12(5-17(37)38)30-16(36)6-28-19(40)11(31-22(15)43)3-2-4-27-23(25)26/h11-15,34H,2-9H2,1H3,(H2,24,39)(H,28,40)(H,29,35)(H,30,36)(H,31,43)(H,32,41)(H,33,42)(H,37,38)(H4,25,26,27)/t11-,12-,13+,14+,15-/m1/s1
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n/an/a 3.27E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010189
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES [#6]-[#6](=O)-[#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](-[#7])=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H34N8O7/c1-14(35)32-18(7-4-10-30-26(28)29)24(40)31-13-20(36)33-19(12-21(37)38)25(41)34-22(23(27)39)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,18-19,22H,4,7,10,12-13H2,1H3,(H2,27,39)(H,31,40)(H,32,35)(H,33,36)(H,34,41)(H,37,38)(H4,28,29,30)/t18-,19-,22-/m0/s1
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n/an/a 4.05E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010175
PNG
(CHEMBL107169 | [19-Acetylamino-4-carbamoyl-13-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C22H36N10O9S2/c1-10(33)29-14-9-43-42-8-13(18(23)38)32-21(41)12(5-17(36)37)31-16(35)7-27-19(39)11(3-2-4-26-22(24)25)30-15(34)6-28-20(14)40/h11-14H,2-9H2,1H3,(H2,23,38)(H,27,39)(H,28,40)(H,29,33)(H,30,34)(H,31,35)(H,32,41)(H,36,37)(H4,24,25,26)/t11-,12-,13-,14+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010166
PNG
(CHEMBL2370399 | [16-Acetylamino-13-(4-amino-butyl)...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCCN)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N7O8S2/c1-11(30)26-14-10-38-39-22(2,3)17(18(24)34)29-20(36)13(8-16(32)33)27-15(31)9-25-19(35)12(28-21(14)37)6-4-5-7-23/h12-14,17H,4-10,23H2,1-3H3,(H2,24,34)(H,25,35)(H,26,30)(H,27,31)(H,28,37)(H,29,36)(H,32,33)/t12-,13-,14-,17+/m1/s1
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n/an/a 5.53E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010184
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H34N8O7/c1-9(2)15(16(20)32)27-18(34)12(7-14(30)31)26-13(29)8-24-17(33)11(25-10(3)28)5-4-6-23-19(21)22/h9,11-12,15H,4-8H2,1-3H3,(H2,20,32)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t11-,12-,15-/m0/s1
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n/an/a 5.55E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human washed platelet aggregation

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
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 6.72E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010168
PNG
(3-[5-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@H](CCCCNC(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/C18H32N8O8/c1-9(28)24-10(4-2-3-5-22-18(20)21)16(33)23-7-13(29)25-11(6-14(30)31)17(34)26-12(8-27)15(19)32/h10-12,27H,2-8H2,1H3,(H2,19,32)(H,23,33)(H,24,28)(H,25,29)(H,26,34)(H,30,31)(H4,20,21,22)/t10-,11+,12+/m1/s1
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n/an/a 6.82E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010183
PNG
(CHEMBL353203 | [16-Acetylamino-4-carbamoyl-13-(3-g...)
Show SMILES [#6]-[#7]-1-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)28-14-10-41-42-23(2,3)17(18(24)37)31-19(38)13(8-16(35)36)29-15(34)9-32(4)21(40)12(30-20(14)39)6-5-7-27-22(25)26/h12-14,17H,5-10H2,1-4H3,(H2,24,37)(H,28,33)(H,29,34)(H,30,39)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
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n/an/a 7.34E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010182
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H33N7O6/c1-14(30)28-16(8-5-10-26-22(23)24)20(34)27-13-18(31)29-17(12-19(32)33)21(35)25-11-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,25,35)(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,26)/t16-,17-/m0/s1
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n/an/a 7.59E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010178
PNG
(CHEMBL2370398 | [4-Acetyl-16-acetylamino-13-(2-car...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)[C@@]([#6]-[#6]\[#7]=[#6](\[#7])-[#7])([#6]-[#6]-[#6](-[#7])=[#7])[#7]-[#6]-1=O)-[#6](-[#6])=O
Show InChI InChI=1S/C25H42N10O8S2/c1-12(36)19-24(3,4)45-44-11-15(32-13(2)37)21(42)35-25(6-5-16(26)27,7-8-30-23(28)29)22(43)31-10-17(38)33-14(9-18(39)40)20(41)34-19/h14-15,19H,5-11H2,1-4H3,(H3,26,27)(H,31,43)(H,32,37)(H,33,38)(H,34,41)(H,35,42)(H,39,40)(H4,28,29,30)/t14-,15+,19-,25-/m0/s1
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n/an/a 8.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
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 Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010173
PNG
(4-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H32N8O8/c1-9(28)24-10(3-2-6-22-18(20)21)16(33)23-7-13(29)25-11(4-5-14(30)31)17(34)26-12(8-27)15(19)32/h10-12,27H,2-8H2,1H3,(H2,19,32)(H,23,33)(H,24,28)(H,25,29)(H,26,34)(H,30,31)(H4,20,21,22)/t10-,11+,12-/m0/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010192
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
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](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C23H34N8O8/c1-12(32)29-15(3-2-8-27-23(25)26)21(38)28-11-18(34)30-17(10-19(35)36)22(39)31-16(20(24)37)9-13-4-6-14(33)7-5-13/h4-7,15-17,33H,2-3,8-11H2,1H3,(H2,24,37)(H,28,38)(H,29,32)(H,30,34)(H,31,39)(H,35,36)(H4,25,26,27)/t15-,16-,17-/m0/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010188
PNG
(3-[4-amino(imino)methylamino-1-[4-amino(imino)meth...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H46N12O8/c1-16(42)38-19(10-6-12-36-29(33)34)26(48)40-18(9-5-11-35-28(31)32)25(47)37-15-22(43)39-21(14-23(44)45)27(49)41-20(24(30)46)13-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-15H2,1H3,(H2,30,46)(H,37,47)(H,38,42)(H,39,43)(H,40,48)(H,41,49)(H,44,45)(H4,31,32,35)(H4,33,34,36)/t18-,19-,20-,21-/m0/s1
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n/an/a 1.13E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010174
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C14H25N7O6/c1-7(22)20-8(3-2-4-18-14(16)17)13(27)19-6-10(23)21-9(12(15)26)5-11(24)25/h8-9H,2-6H2,1H3,(H2,15,26)(H,19,27)(H,20,22)(H,21,23)(H,24,25)(H4,16,17,18)/t8-,9-/m0/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010160
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
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 1.38E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010186
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O)C(=O)[C@H](CCCNC(N)=N)NC(C)=O
Show InChI InChI=1S/C18H32N8O8/c1-9(28)23-10(4-3-5-22-18(20)21)17(34)26(2)7-13(29)24-11(6-14(30)31)16(33)25-12(8-27)15(19)32/h10-12,27H,3-8H2,1-2H3,(H2,19,32)(H,23,28)(H,24,29)(H,25,33)(H,30,31)(H4,20,21,22)/t10-,11-,12-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010164
PNG
(2-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](CO)C(N)=O)C(O)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(31)22-6-13(29)24-10(16(32)33)5-12(28)25-11(7-26)14(18)30/h9-11,26H,2-7H2,1H3,(H2,18,30)(H,22,31)(H,23,27)(H,24,29)(H,25,28)(H,32,33)(H4,19,20,21)/t9-,10+,11-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin-stimulated platelet aggregation in dogs

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010190
PNG
(1N-[1-carbamoyl-2-hydroxy-(1S)-ethyl]-2-[4-amino(i...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H31N9O7/c1-8(28)24-9(3-2-4-22-17(20)21)15(32)23-6-13(30)25-10(5-12(18)29)16(33)26-11(7-27)14(19)31/h9-11,27H,2-7H2,1H3,(H2,18,29)(H2,19,31)(H,23,32)(H,24,28)(H,25,30)(H,26,33)(H4,20,21,22)/t9-,10-,11-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010185
PNG
(16-Acetylamino-7-carbamoylmethyl-13-(3-guanidino-p...)
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](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O
Show InChI InChI=1S/C23H40N10O7S2/c1-11(34)30-13-10-41-42-23(2,3)17(18(25)37)32-19(38)12(8-15(24)35)31-16(36)9-29-20(39)14(33(4)21(13)40)6-5-7-28-22(26)27/h12-14,17H,5-10H2,1-4H3,(H2,24,35)(H2,25,37)(H,29,39)(H,30,34)(H,31,36)(H,32,38)(H4,26,27,28)/t12-,13-,14-,17+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010165
PNG
(3-[1-[5-amino(imino)methylamino-2-methylcarboxamid...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C20H34N8O8/c1-10(30)25-11(4-2-6-24-20(22)23)19(36)28-7-3-5-14(28)18(35)26-12(8-15(31)32)17(34)27-13(9-29)16(21)33/h11-14,29H,2-9H2,1H3,(H2,21,33)(H,25,30)(H,26,35)(H,27,34)(H,31,32)(H4,22,23,24)/t11-,12-,13-,14-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50421885
PNG
(CHEMBL2111672)
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>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010163
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
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+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010180
PNG
(3-[1-[4-amino(imino)methylamino-1-methylcarboxamid...)
Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H32N8O8/c1-8(23-16(33)10(24-9(2)28)4-3-5-22-18(20)21)15(32)25-11(6-13(29)30)17(34)26-12(7-27)14(19)31/h8,10-12,27H,3-7H2,1-2H3,(H2,19,31)(H,23,33)(H,24,28)(H,25,32)(H,26,34)(H,29,30)(H4,20,21,22)/t8-,10-,11-,12-/m0/s1
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SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010158
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CCNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O
Show InChI InChI=1S/C19H34N8O8/c1-3-22-17(34)13(9-28)27-18(35)12(7-15(31)32)26-14(30)8-24-16(33)11(25-10(2)29)5-4-6-23-19(20)21/h11-13,28H,3-9H2,1-2H3,(H,22,34)(H,24,33)(H,25,29)(H,26,30)(H,27,35)(H,31,32)(H4,20,21,23)/t11-,12-,13-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010191
PNG
(4-[5-amino-1-methylcarboxamido-(1S)-pentylcarboxam...)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H32N6O8/c1-10(26)22-11(4-2-3-7-19)17(31)21-8-14(27)23-12(5-6-15(28)29)18(32)24-13(9-25)16(20)30/h11-13,25H,2-9,19H2,1H3,(H2,20,30)(H,21,31)(H,22,26)(H,23,27)(H,24,32)(H,28,29)/t11-,12-,13-/m0/s1
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SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human washed platelet aggregation

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010156
PNG
(3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]-3-[2...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H29N7O9/c1-8(26)22-9(3-2-4-20-17(19)33)15(31)21-6-12(27)23-10(5-13(28)29)16(32)24-11(7-25)14(18)30/h9-11,25H,2-7H2,1H3,(H2,18,30)(H,21,31)(H,22,26)(H,23,27)(H,24,32)(H,28,29)(H3,19,20,33)/t9-,10-,11-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010170
PNG
(4-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H32N8O8/c1-9(28)24-10(3-2-6-22-18(20)21)16(33)23-7-13(29)25-11(4-5-14(30)31)17(34)26-12(8-27)15(19)32/h10-12,27H,2-8H2,1H3,(H2,19,32)(H,23,33)(H,24,28)(H,25,29)(H,26,34)(H,30,31)(H4,20,21,22)/t10-,11-,12-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010167
PNG
(1N-[1-[5-amino-1-formyl-(1S)-pentylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H82N18O17/c1-25(2)14-34(68-50(84)36(16-31-19-56-24-61-31)69-49(83)35(64-29(7)71)15-30-18-55-23-60-30)46(80)59-20-39(73)57-21-40(74)62-28(6)45(79)66-32(10-8-9-13-53)48(82)67-33(11-12-38(54)72)47(81)63-27(5)44(78)58-22-41(75)65-37(17-42(76)77)51(85)70-43(26(3)4)52(86)87/h18-19,23-28,32-37,43H,8-17,20-22,53H2,1-7H3,(H2,54,72)(H,55,60)(H,56,61)(H,57,73)(H,58,78)(H,59,80)(H,62,74)(H,63,81)(H,64,71)(H,65,75)(H,66,79)(H,67,82)(H,68,84)(H,69,83)(H,70,85)(H,76,77)(H,86,87)/t27-,28-,32-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010162
PNG
(CHEMBL2370401 | [16-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C23H39N9O8S2/c1-10-18(37)31-13(8-15(34)35)20(39)32-16(17(24)36)23(3,4)42-41-9-14(29-11(2)33)21(40)30-12(19(38)28-10)6-5-7-27-22(25)26/h10,12-14,16H,5-9H2,1-4H3,(H2,24,36)(H,28,38)(H,29,33)(H,30,40)(H,31,37)(H,32,39)(H,34,35)(H4,25,26,27)/t10-,12+,13+,14+,16-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010194
PNG
(16-(2-Acetylamino-6-amino-hexanoylamino)-7-carboxy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O
Show InChI InChI=1S/C25H41N7O10S2/c1-12-20(37)27-10-17(34)30-15(9-18(35)36)22(39)32-19(24(41)42)25(3,4)44-43-11-16(23(40)28-12)31-21(38)14(29-13(2)33)7-5-6-8-26/h12,14-16,19H,5-11,26H2,1-4H3,(H,27,37)(H,28,40)(H,29,33)(H,30,34)(H,31,38)(H,32,39)(H,35,36)(H,41,42)/t12-,14-,15-,16-,19-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010172
PNG
(3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]-3-[2...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H25N7O8/c1-8(26)22-10(2-9-4-19-7-21-9)16(31)20-5-13(27)23-11(3-14(28)29)17(32)24-12(6-25)15(18)30/h4,7,10-12,25H,2-3,5-6H2,1H3,(H2,18,30)(H,19,21)(H,20,31)(H,22,26)(H,23,27)(H,24,32)(H,28,29)/t10-,11-,12-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010169
PNG
(3-[5-amino-1-methylcarboxamido-(1S)-pentylcarboxam...)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H30N6O8/c1-9(25)21-10(4-2-3-5-18)16(30)20-7-13(26)22-11(6-14(27)28)17(31)23-12(8-24)15(19)29/h10-12,24H,2-8,18H2,1H3,(H2,19,29)(H,20,30)(H,21,25)(H,22,26)(H,23,31)(H,27,28)/t10-,11-,12-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50040751
PNG
(CHEMBL351938 | [(4S,7S,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-13-9-40-41-22(2,3)16(17(23)36)31-19(38)12(7-15(34)35)29-14(33)8-27-18(37)11(30-20(13)39)5-4-6-26-21(24)25/h11-13,16H,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>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50010181
PNG
(CHEMBL2370402 | [16-Acetylamino-4-carbamoyl-13-(4-...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-14-10-41-42-23(2,3)17(18(24)37)32-20(39)13(8-16(35)36)30-15(34)9-28-19(38)12(31-21(14)40)6-4-5-7-27-22(25)26/h12-14,17H,4-10H2,1-3H3,(H2,24,37)(H,28,38)(H,29,33)(H,30,34)(H,31,40)(H,32,39)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
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n/an/a 3.85E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor

J Med Chem 34: 3114-25 (1991)


BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%