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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'tapparelli' and Initial = 'c'   
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))
BDBM50291335
PNG
((R)-7-(4-Carbamimidoyl-benzoylamino)-3-[3-(4-metho...)
Show SMILES COc1ccc(CCC(=O)N[C@H](CCCCNC(=O)c2ccc(cc2)C(N)=N)CC(O)=O)cc1
Show InChI InChI=1S/C25H32N4O5/c1-34-21-12-5-17(6-13-21)7-14-22(30)29-20(16-23(31)32)4-2-3-15-28-25(33)19-10-8-18(9-11-19)24(26)27/h5-6,8-13,20H,2-4,7,14-16H2,1H3,(H3,26,27)(H,28,33)(H,29,30)(H,31,32)/t20-/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291333
PNG
((R)-7-(4-Carbamimidoyl-benzoylamino)-3-(2-naphthal...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCCC[C@H](CC(O)=O)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C27H30N4O4/c28-26(29)19-11-13-20(14-12-19)27(35)30-15-4-3-9-22(17-25(33)34)31-24(32)16-21-8-5-7-18-6-1-2-10-23(18)21/h1-2,5-8,10-14,22H,3-4,9,15-17H2,(H3,28,29)(H,30,35)(H,31,32)(H,33,34)/t22-/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to GPllb/IIIa receptor


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291336
PNG
((S)-3-(3-Adamantan-1-yl-propionylamino)-6-[2-(4-ca...)
Show SMILES NC(=N)c1ccc(CC(=O)NCCC[C@@H](CC(O)=O)NC(=O)CCC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:23:24:27:30.31.29,THB:23:24:26.31.27:29,32:24:27:30.31.29,25:24:26.31.27:29,25:26:24.32.33:29|
Show InChI InChI=1S/C28H40N4O4/c29-27(30)22-5-3-18(4-6-22)13-25(34)31-9-1-2-23(14-26(35)36)32-24(33)7-8-28-15-19-10-20(16-28)12-21(11-19)17-28/h3-6,19-21,23H,1-2,7-17H2,(H3,29,30)(H,31,34)(H,32,33)(H,35,36)/t19-,20+,21-,23-,28?/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291340
PNG
((R)-7-(4-Carbamimidoyl-benzoylamino)-3-(3-methyl-b...)
Show SMILES CC(C)CC(=O)N[C@H](CCCCNC(=O)c1ccc(cc1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C20H30N4O4/c1-13(2)11-17(25)24-16(12-18(26)27)5-3-4-10-23-20(28)15-8-6-14(7-9-15)19(21)22/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,21,22)(H,23,28)(H,24,25)(H,26,27)/t16-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291334
PNG
((R)-7-(4-Carbamimidoyl-benzoylamino)-3-[2-(4-metho...)
Show SMILES COc1ccc(CCS(=O)(=O)N[C@H](CCCCNC(=O)c2ccc(cc2)C(N)=N)CC(O)=O)cc1
Show InChI InChI=1S/C24H32N4O6S/c1-34-21-11-5-17(6-12-21)13-15-35(32,33)28-20(16-22(29)30)4-2-3-14-27-24(31)19-9-7-18(8-10-19)23(25)26/h5-12,20,28H,2-4,13-16H2,1H3,(H3,25,26)(H,27,31)(H,29,30)/t20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291337
PNG
((S)-6-[2-(4-Carbamimidoyl-phenyl)-acetylamino]-3-[...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](CCCNC(=O)Cc2ccc(cc2)C(N)=N)CC(O)=O)cc1
Show InChI InChI=1S/C25H32N4O5/c1-34-21-11-6-17(7-12-21)8-13-22(30)29-20(16-24(32)33)3-2-14-28-23(31)15-18-4-9-19(10-5-18)25(26)27/h4-7,9-12,20H,2-3,8,13-16H2,1H3,(H3,26,27)(H,28,31)(H,29,30)(H,32,33)/t20-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291339
PNG
((S)-6-[2-(4-Carbamimidoyl-phenyl)-acetylamino]-3-(...)
Show SMILES CC(C)CC(=O)N[C@@H](CCCNC(=O)Cc1ccc(cc1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C20H30N4O4/c1-13(2)10-18(26)24-16(12-19(27)28)4-3-9-23-17(25)11-14-5-7-15(8-6-14)20(21)22/h5-8,13,16H,3-4,9-12H2,1-2H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)/t16-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282124
PNG
((S)-N-((S)-Adamantan-1-yl-carboxy-methyl)-3-{(S)-3...)
Show SMILES NC(=N)c1ccc(CC(=O)N[C@H]2CCN([C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 |TLB:30:31:35:28.29.34,THB:30:29:35:36.31.32,32:31:28:35.33.34,32:33:28:36.31.30|
Show InChI InChI=1S/C29H37N5O7/c30-25(31)19-3-1-15(2-4-19)10-22(35)32-20-5-6-34(27(20)39)21(11-23(36)37)26(38)33-24(28(40)41)29-12-16-7-17(13-29)9-18(8-16)14-29/h1-4,16-18,20-21,24H,5-14H2,(H3,30,31)(H,32,35)(H,33,38)(H,36,37)(H,40,41)/t16?,17?,18?,20-,21-,24+,29?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291342
PNG
((S)-3-(2-Adamantan-1-yl-acetylamino)-6-[2-(4-carba...)
Show SMILES NC(=N)c1ccc(CC(=O)NCCC[C@@H](CC(O)=O)NC(=O)CC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:26:29.28.30,22:23:28:25.26.30,THB:24:23:28:25.26.30,24:25:23.32.31:28,31:23:26:29.28.30|
Show InChI InChI=1S/C27H38N4O4/c28-26(29)21-5-3-17(4-6-21)11-23(32)30-7-1-2-22(12-25(34)35)31-24(33)16-27-13-18-8-19(14-27)10-20(9-18)15-27/h3-6,18-20,22H,1-2,7-16H2,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)/t18-,19+,20-,22-,27?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282126
PNG
((S)-N-((S)-2-Adamantan-1-yl-1-carboxy-ethyl)-3-{(S...)
Show SMILES NC(=N)c1ccc(CC(=O)N[C@H]2CCN([C@@H](CC(O)=O)C(=O)N[C@@H](CC34CC5CC(CC(C5)C3)C4)C(O)=O)C2=O)cc1 |TLB:32:31:34:27.26.28,32:27:34:31.33.30,THB:30:31:26:29.34.28,30:29:26:31.33.32|
Show InChI InChI=1S/C30H39N5O7/c31-26(32)20-3-1-16(2-4-20)10-24(36)33-21-5-6-35(28(21)40)23(11-25(37)38)27(39)34-22(29(41)42)15-30-12-17-7-18(13-30)9-19(8-17)14-30/h1-4,17-19,21-23H,5-15H2,(H3,31,32)(H,33,36)(H,34,39)(H,37,38)(H,41,42)/t17?,18?,19?,21-,22-,23-,30?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291338
PNG
((S)-6-[2-(4-Carbamimidoyl-phenyl)-acetylamino]-3-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)Cc1ccc(cc1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C22H28N4O5S/c1-15-4-10-19(11-5-15)32(30,31)26-18(14-21(28)29)3-2-12-25-20(27)13-16-6-8-17(9-7-16)22(23)24/h4-11,18,26H,2-3,12-14H2,1H3,(H3,23,24)(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291331
PNG
((S)-6-[2-(4-Carbamimidoyl-phenyl)-acetylamino]-3-i...)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(=O)Cc1ccc(cc1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C20H30N4O4/c1-13(2)12-24-20(28)16(11-18(26)27)4-3-9-23-17(25)10-14-5-7-15(8-6-14)19(21)22/h5-8,13,16H,3-4,9-12H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)/t16-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282121
PNG
((S)-3-{(S)-3-[2-(4-Carbamimidoyl-phenyl)-acetylami...)
Show SMILES NC(=N)c1ccc(CC(=O)N[C@H]2CCN([C@@H](CC(O)=O)C(=O)N[C@@H](Cn3ccc4ccccc34)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C28H30N6O7/c29-25(30)18-7-5-16(6-8-18)13-23(35)31-19-10-12-34(27(19)39)22(14-24(36)37)26(38)32-20(28(40)41)15-33-11-9-17-3-1-2-4-21(17)33/h1-9,11,19-20,22H,10,12-15H2,(H3,29,30)(H,31,35)(H,32,38)(H,36,37)(H,40,41)/t19-,20-,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282119
PNG
((S)-N-((S)-2-Adamantan-1-yl-1-methoxycarbonyl-ethy...)
Show SMILES COC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)Cc2ccc(cc2)C(N)=N)C1=O |TLB:13:12:15:8.7.9,13:8:15:12.14.11,THB:11:12:7:10.15.9,11:10:7:12.14.13|
Show InChI InChI=1S/C31H41N5O7/c1-43-30(42)23(16-31-13-18-8-19(14-31)10-20(9-18)15-31)35-28(40)24(12-26(38)39)36-7-6-22(29(36)41)34-25(37)11-17-2-4-21(5-3-17)27(32)33/h2-5,18-20,22-24H,6-16H2,1H3,(H3,32,33)(H,34,37)(H,35,40)(H,38,39)/t18?,19?,20?,22-,23-,24-,31?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282122
PNG
((S)-2-((S)-2-{(S)-3-[2-(4-Carbamimidoyl-phenyl)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)Cc2ccc(cc2)C(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C23H31N5O7/c1-12(2)9-16(23(34)35)27-21(32)17(11-19(30)31)28-8-7-15(22(28)33)26-18(29)10-13-3-5-14(6-4-13)20(24)25/h3-6,12,15-17H,7-11H2,1-2H3,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)(H,34,35)/t15-,16-,17-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282116
PNG
((S)-2-{(S)-2-[2-((S)-2-Benzyloxycarbonylamino-5-gu...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N7O9/c1-14(2)20(23(38)39)32-22(37)17(11-19(34)35)30-18(33)12-29-21(36)16(9-6-10-28-24(26)27)31-25(40)41-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,29,36)(H,30,33)(H,31,40)(H,32,37)(H,34,35)(H,38,39)(H4,26,27,28)/t16-,17-,20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282127
PNG
((S)-3-{(S)-3-[2-(4-Carbamimidoyl-phenyl)-acetylami...)
Show SMILES COC(=O)[C@H](Cn1ccc2ccccc12)NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)Cc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C29H32N6O7/c1-42-29(41)21(16-34-12-10-18-4-2-3-5-22(18)34)33-27(39)23(15-25(37)38)35-13-11-20(28(35)40)32-24(36)14-17-6-8-19(9-7-17)26(30)31/h2-10,12,20-21,23H,11,13-16H2,1H3,(H3,30,31)(H,32,36)(H,33,39)(H,37,38)/t20-,21-,23-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282132
PNG
((S)-3-[2-((S)-2-Benzyloxycarbonylamino-5-guanidino...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H39N7O9/c1-45-28(43)23(15-19-9-4-2-5-10-19)36-27(42)22(16-25(39)40)35-24(38)17-34-26(41)21(13-8-14-33-29(31)32)37-30(44)46-18-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,34,41)(H,35,38)(H,36,42)(H,37,44)(H,39,40)(H4,31,32,33)/t21-,22-,23-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282120
PNG
((S)-N-((S)-2-Adamantan-1-yl-1-methoxycarbonyl-ethy...)
Show SMILES COC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)C1=O |TLB:9:10:14:8.7.13,13:12:15:8.7.9,13:8:15:12.14.11,THB:9:8:14:10.15.11|
Show InChI InChI=1S/C36H51N7O9/c1-51-33(49)27(19-36-16-22-12-23(17-36)14-24(13-22)18-36)41-31(47)28(15-29(44)45)43-11-9-26(32(43)48)40-30(46)25(8-5-10-39-34(37)38)42-35(50)52-20-21-6-3-2-4-7-21/h2-4,6-7,22-28H,5,8-20H2,1H3,(H,40,46)(H,41,47)(H,42,50)(H,44,45)(H4,37,38,39)/t22?,23?,24?,25-,26-,27-,28-,36?/m0/s1
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n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282117
PNG
((S)-2-{(S)-2-[(S)-3-((S)-2-Benzyloxycarbonylamino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C28H41N7O9/c1-16(2)13-20(26(41)42)33-24(39)21(14-22(36)37)35-12-10-19(25(35)40)32-23(38)18(9-6-11-31-27(29)30)34-28(43)44-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-21H,6,9-15H2,1-2H3,(H,32,38)(H,33,39)(H,34,43)(H,36,37)(H,41,42)(H4,29,30,31)/t18-,19-,20-,21-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282129
PNG
((S)-3-[(S)-3-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C32H41N7O9/c1-47-30(45)24(17-20-9-4-2-5-10-20)37-28(43)25(18-26(40)41)39-16-14-23(29(39)44)36-27(42)22(13-8-15-35-31(33)34)38-32(46)48-19-21-11-6-3-7-12-21/h2-7,9-12,22-25H,8,13-19H2,1H3,(H,36,42)(H,37,43)(H,38,46)(H,40,41)(H4,33,34,35)/t22-,23-,24-,25-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282130
PNG
((S)-3-[(S)-3-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN([C@@H](CC(O)=O)C(=O)N[C@@H](Cn2ccc3ccccc23)C(O)=O)C1=O
Show InChI InChI=1S/C33H40N8O9/c34-32(35)36-14-6-10-22(39-33(49)50-19-20-7-2-1-3-8-20)28(44)37-23-13-16-41(30(23)46)26(17-27(42)43)29(45)38-24(31(47)48)18-40-15-12-21-9-4-5-11-25(21)40/h1-5,7-9,11-12,15,22-24,26H,6,10,13-14,16-19H2,(H,37,44)(H,38,45)(H,39,49)(H,42,43)(H,47,48)(H4,34,35,36)/t22-,23-,24-,26-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282131
PNG
((S)-3-[(S)-3-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES COC(=O)[C@H](Cn1ccc2ccccc12)NC(=O)[C@H](CC(O)=O)N1CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C34H42N8O9/c1-50-32(48)25(19-41-16-13-22-10-5-6-12-26(22)41)39-30(46)27(18-28(43)44)42-17-14-24(31(42)47)38-29(45)23(11-7-15-37-33(35)36)40-34(49)51-20-21-8-3-2-4-9-21/h2-6,8-10,12-13,16,23-25,27H,7,11,14-15,17-20H2,1H3,(H,38,45)(H,39,46)(H,40,49)(H,43,44)(H4,35,36,37)/t23-,24-,25-,27-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291332
PNG
(CHEMBL162760 | Ornithine sulfonamide)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H24N2O6S/c1-15-9-11-17(12-10-15)29(26,27)22-18(19(23)24)8-5-13-21-20(25)28-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,22H,5,8,13-14H2,1H3,(H,21,25)(H,23,24)/t18-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50291341
PNG
((S)-5-[2-(4-Carbamimidoyl-phenyl)-acetylamino]-2-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)Cc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H26N4O5S/c1-14-4-10-17(11-5-14)31(29,30)25-18(21(27)28)3-2-12-24-19(26)13-15-6-8-16(9-7-15)20(22)23/h4-11,18,25H,2-3,12-13H2,1H3,(H3,22,23)(H,24,26)(H,27,28)/t18-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta3 integrin


Bioorg Med Chem Lett 7: 727-732 (1997)


Article DOI: 10.1016/S0960-894X(97)00095-4
BindingDB Entry DOI: 10.7270/Q2KK9BSM
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282118
PNG
((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N7O9/c1-19(35-27(42)22(14-9-15-34-30(32)33)38-31(45)47-18-21-12-7-4-8-13-21)26(41)36-23(17-25(39)40)28(43)37-24(29(44)46-2)16-20-10-5-3-6-11-20/h3-8,10-13,19,22-24H,9,14-18H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,45)(H,39,40)(H4,32,33,34)/t19-,22-,23-,24-/m0/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282125
PNG
((S)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C31H39N7O9/c32-30(33)34-14-7-12-21(37-31(46)47-18-20-10-5-2-6-11-20)26(41)35-22-13-15-38(28(22)43)24(17-25(39)40)27(42)36-23(29(44)45)16-19-8-3-1-4-9-19/h1-6,8-11,21-24H,7,12-18H2,(H,35,41)(H,36,42)(H,37,46)(H,39,40)(H,44,45)(H4,32,33,34)/t21-,22+,23-,24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282128
PNG
((S)-2-((R)-2-{(S)-3-[2-(4-Carbamimidoyl-phenyl)-ac...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)N1CC[C@H](NC(=O)Cc2ccc(cc2)C(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C22H29N5O7/c1-11(2)18(22(33)34)26-20(31)15(10-17(29)30)27-8-7-14(21(27)32)25-16(28)9-12-3-5-13(6-4-12)19(23)24/h3-6,11,14-15,18H,7-10H2,1-2H3,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)(H,33,34)/t14-,15+,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50282123
PNG
((S)-3-[(R)-2-((S)-2-Benzyloxycarbonylamino-5-guani...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N7O9/c1-19(35-27(42)22(14-9-15-34-30(32)33)38-31(45)47-18-21-12-7-4-8-13-21)26(41)36-23(17-25(39)40)28(43)37-24(29(44)46-2)16-20-10-5-3-6-11-20/h3-8,10-13,19,22-24H,9,14-18H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,45)(H,39,40)(H4,32,33,34)/t19-,22+,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified immobilized alpha IIb beta3 integrin isolated from membranes of human blood platelets.


Bioorg Med Chem Lett 3: 1675-1680 (1993)


Article DOI: 10.1016/S0960-894X(00)80041-4
BindingDB Entry DOI: 10.7270/Q2MW2H3G
More data for this
Ligand-Target Pair