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PubMed code 8960563

Compile data set for download or QSAR
Found 12 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))
BDBM50287288
PNG
((S)-2-{(S)-2-[4-(4-Carbamimidoyl-phenoxy)-butyryla...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H30N4O7/c1-2-3-5-15(21(30)31)25-20(29)16(12-18(27)28)24-17(26)6-4-11-32-14-9-7-13(8-10-14)19(22)23/h7-10,15-16H,2-6,11-12H2,1H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)/t15-,16-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding to fibrinogen receptor


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092111
PNG
((S)-2-{(S)-2-[4-(4-Carbamimidoyl-phenoxy)-butyryla...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H28N4O7/c1-11(2)17(20(29)30)24-19(28)14(10-16(26)27)23-15(25)4-3-9-31-13-7-5-12(6-8-13)18(21)22/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t14-,17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287287
PNG
((S)-3-[4-(4-Carbamimidoyl-phenoxy)-butyrylamino]-N...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O8/c1-29(20(25(35)36)13-15-4-8-17(30)9-5-15)24(34)19(14-22(32)33)28-21(31)3-2-12-37-18-10-6-16(7-11-18)23(26)27/h4-11,19-20,30H,2-3,12-14H2,1H3,(H3,26,27)(H,28,31)(H,32,33)(H,35,36)/t19-,20-/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287286
PNG
((S)-2-{(S)-2-[4-(4-Carbamimidoyl-phenoxy)-butyryla...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H30N4O7/c1-12(2)10-16(21(30)31)25-20(29)15(11-18(27)28)24-17(26)4-3-9-32-14-7-5-13(6-8-14)19(22)23/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)/t15-,16-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421378
PNG
(CHEMBL146281)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H30N4O7/c1-3-12(2)18(21(30)31)25-20(29)15(11-17(27)28)24-16(26)5-4-10-32-14-8-6-13(7-9-14)19(22)23/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)/t12-,15-,18-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287282
PNG
((S)-3-[4-(4-Carbamimidoyl-phenoxy)-butyrylamino]-N...)
Show SMILES NC(=N)c1ccc(OCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H28N4O8/c25-22(26)15-5-9-17(10-6-15)36-11-1-2-20(30)27-18(13-21(31)32)23(33)28-19(24(34)35)12-14-3-7-16(29)8-4-14/h3-10,18-19,29H,1-2,11-13H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)(H,34,35)/t18-,19-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50422181
PNG
(CHEMBL146470)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H32N4O7/c1-22(2,3)12-16(21(31)32)26-20(30)15(11-18(28)29)25-17(27)5-4-10-33-14-8-6-13(7-9-14)19(23)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H3,23,24)(H,25,27)(H,26,30)(H,28,29)(H,31,32)/t15-,16-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287279
PNG
((S)-2-{(S)-2-[5-(4-Carbamimidoyl-phenoxy)-pentanoy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCCOc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H30N4O7/c1-12(2)18(21(30)31)25-20(29)15(11-17(27)28)24-16(26)5-3-4-10-32-14-8-6-13(7-9-14)19(22)23/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)/t15-,18-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287281
PNG
((S)-3-[5-(4-Carbamimidoyl-phenoxy)-pentanoylamino]...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)[C@H](CC(O)=O)NC(=O)CCCCOc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H32N4O8/c1-30(21(26(36)37)14-16-5-9-18(31)10-6-16)25(35)20(15-23(33)34)29-22(32)4-2-3-13-38-19-11-7-17(8-12-19)24(27)28/h5-12,20-21,31H,2-4,13-15H2,1H3,(H3,27,28)(H,29,32)(H,33,34)(H,36,37)/t20-,21-/m0/s1
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n/an/a 269n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287278
PNG
((S)-3-[5-(4-Carbamimidoyl-phenoxy)-pentanoylamino]...)
Show SMILES NC(=N)c1ccc(OCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)cc1
Show InChI InChI=1S/C25H30N4O8/c26-23(27)16-6-10-18(11-7-16)37-12-2-1-3-21(31)28-19(14-22(32)33)24(34)29-20(25(35)36)13-15-4-8-17(30)9-5-15/h4-11,19-20,30H,1-3,12-14H2,(H3,26,27)(H,28,31)(H,29,34)(H,32,33)(H,35,36)/t19-,20-/m0/s1
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n/an/a 646n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50422180
PNG
(CHEMBL145961)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCOc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H32N4O8/c1-37-26(36)21(14-16-5-9-18(31)10-6-16)30-25(35)20(15-23(33)34)29-22(32)4-2-3-13-38-19-11-7-17(8-12-19)24(27)28/h5-12,20-21,31H,2-4,13-15H2,1H3,(H3,27,28)(H,29,32)(H,30,35)(H,33,34)/t20-,21-/m0/s1
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n/an/a 4.47E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding to integrin alphaIIb-beta3


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287285
PNG
((S)-3-[5-(4-Carbamimidoyl-phenoxy)-pentanoylamino]...)
Show SMILES NC(=N)c1ccc(OCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O)cc1
Show InChI InChI=1S/C19H26N4O8/c20-17(21)11-4-6-12(7-5-11)31-8-2-1-3-15(25)22-13(9-16(26)27)18(28)23-14(10-24)19(29)30/h4-7,13-14,24H,1-3,8-10H2,(H3,20,21)(H,22,25)(H,23,28)(H,26,27)(H,29,30)/t13-,14-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin


J Med Chem 39: 5017-20 (1997)


Article DOI: 10.1021/jm960557i
BindingDB Entry DOI: 10.7270/Q2T72JQ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%