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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'cook' and Initial = 'ns'   
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))
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))
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))
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))
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))
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))
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