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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'amédée' and Initial = 'j'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50313793
PNG
((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378338
PNG
(CHEMBL573961)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H46F3N5O10S/c1-50-15-16-51-17-18-52-19-20-53-24-33(45)42-29-21-25(22-30(35(46)47)44-55(48,49)28-7-2-6-27(23-28)36(37,38)39)8-10-31(29)54-14-4-13-40-32-11-9-26-5-3-12-41-34(26)43-32/h2,6-11,21,23,30,44H,3-5,12-20,22,24H2,1H3,(H,42,45)(H,46,47)(H2,40,41,43)/t30-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378336
PNG
(CHEMBL574136)
Show SMILES NCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C35H45F3N6O9S/c36-35(37,38)26-5-1-6-27(22-26)54(48,49)44-29(34(46)47)21-24-7-9-30(28(20-24)42-32(45)23-52-19-18-51-17-16-50-15-11-39)53-14-3-13-40-31-10-8-25-4-2-12-41-33(25)43-31/h1,5-10,20,22,29,44H,2-4,11-19,21,23,39H2,(H,42,45)(H,46,47)(H2,40,41,43)/t29-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378330
PNG
(CHEMBL583966)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C35H45F3N4O10S/c1-25-10-12-40-32(20-25)39-11-3-4-13-52-31-9-8-26(21-29(31)41-33(43)24-51-19-18-50-17-16-49-15-14-48-2)22-30(34(44)45)42-53(46,47)28-7-5-6-27(23-28)35(36,37)38/h5-10,12,20-21,23,30,42H,3-4,11,13-19,22,24H2,1-2H3,(H,39,40)(H,41,43)(H,44,45)/t30-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378335
PNG
(CHEMBL574135)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C29H31F3N4O6S/c1-18(37)34-24-15-19(9-12-26(24)42-14-4-7-22-11-10-20-5-3-13-33-27(20)35-22)16-25(28(38)39)36-43(40,41)23-8-2-6-21(17-23)29(30,31)32/h2,6,8-12,15,17,25,36H,3-5,7,13-14,16H2,1H3,(H,33,35)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378326
PNG
(CHEMBL568500)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)c1 |r|
Show InChI InChI=1S/C26H29F3N4O5S/c1-17-9-11-32-24(13-17)31-10-2-3-12-38-23-8-7-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-6-4-5-19(16-20)26(27,28)29/h4-9,11,13-14,16,22,33H,2-3,10,12,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378327
PNG
(CHEMBL575868)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C28H31F3N4O6S/c1-18-10-12-33-26(14-18)32-11-3-4-13-41-25-9-8-20(15-23(25)34-19(2)36)16-24(27(37)38)35-42(39,40)22-7-5-6-21(17-22)28(29,30)31/h5-10,12,14-15,17,24,35H,3-4,11,13,16H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t24-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378337
PNG
(CHEMBL584588)
Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C41H57F3N6O12S/c42-41(43,44)32-5-1-6-33(28-32)63(54,55)50-35(40(52)53)27-30-7-9-36(62-14-3-13-46-37-10-8-31-4-2-12-47-39(31)49-37)34(26-30)48-38(51)29-61-25-24-60-23-22-59-21-20-58-19-18-57-17-16-56-15-11-45/h1,5-10,26,28,35,50H,2-4,11-25,27,29,45H2,(H,48,51)(H,52,53)(H2,46,47,49)/t35-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378323
PNG
(CHEMBL565478)
Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1 |r|
Show InChI InChI=1S/C24H30F3N5O5S/c25-24(26,27)17-5-3-6-18(15-17)38(35,36)32-20(22(33)34)14-16-7-8-21(19(28)13-16)37-12-2-1-9-29-23-30-10-4-11-31-23/h3,5-8,13,15,20,32H,1-2,4,9-12,14,28H2,(H,33,34)(H2,29,30,31)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378329
PNG
(CHEMBL573907)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCOCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C40H56F3N5O12S/c1-30-9-12-46-37(25-30)45-11-2-3-13-60-36-8-7-31(27-35(39(50)51)48-61(52,53)33-6-4-5-32(28-33)40(41,42)43)26-34(36)47-38(49)29-59-24-23-58-22-21-57-20-19-56-18-17-55-16-15-54-14-10-44/h4-9,12,25-26,28,35,48H,2-3,10-11,13-24,27,29,44H2,1H3,(H,45,46)(H,47,49)(H,50,51)/t35-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378328
PNG
(CHEMBL573683)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C34H44F3N5O9S/c1-24-9-12-40-31(19-24)39-11-2-3-13-51-30-8-7-25(20-28(30)41-32(43)23-50-18-17-49-16-15-48-14-10-38)21-29(33(44)45)42-52(46,47)27-6-4-5-26(22-27)34(35,36)37/h4-9,12,19-20,22,29,42H,2-3,10-11,13-18,21,23,38H2,1H3,(H,39,40)(H,41,43)(H,44,45)/t29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378334
PNG
(CHEMBL566776)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C28H31F3N4O5S/c29-28(30,31)20-6-3-8-22(17-20)41(38,39)35-24(27(36)37)16-18-9-12-25(23(32)15-18)40-14-2-1-7-21-11-10-19-5-4-13-33-26(19)34-21/h3,6,8-12,15,17,24,35H,1-2,4-5,7,13-14,16,32H2,(H,33,34)(H,36,37)/t24-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378324
PNG
(CHEMBL567645)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccccn1 |r|
Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)17-5-3-6-18(15-17)37(34,35)31-20(23(32)33)14-16-8-9-21(19(28)13-16)36-12-4-11-30-22-7-1-2-10-29-22/h1-3,5-10,13,15,20,31H,4,11-12,14,28H2,(H,29,30)(H,32,33)/t20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378325
PNG
(CHEMBL567617)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1ccccn1 |r|
Show InChI InChI=1S/C25H27F3N4O5S/c26-25(27,28)18-6-5-7-19(16-18)38(35,36)32-21(24(33)34)15-17-9-10-22(20(29)14-17)37-13-4-3-12-31-23-8-1-2-11-30-23/h1-2,5-11,14,16,21,32H,3-4,12-13,15,29H2,(H,30,31)(H,33,34)/t21-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378333
PNG
(CHEMBL583214)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C21H26F3N5O5S/c22-21(23,24)14-4-3-5-15(12-14)35(32,33)29-17(19(30)31)11-13-6-7-18(16(25)10-13)34-9-2-1-8-28-20(26)27/h3-7,10,12,17,29H,1-2,8-9,11,25H2,(H,30,31)(H4,26,27,28)/t17-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378331
PNG
(CHEMBL566785)
Show SMILES Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1 |r|
Show InChI InChI=1S/C26H29F3N4O5S/c1-17-6-4-9-24(32-17)31-12-2-3-13-38-23-11-10-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-8-5-7-19(16-20)26(27,28)29/h4-11,14,16,22,33H,2-3,12-13,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378322
PNG
(CHEMBL566784)
Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1 |r|
Show InChI InChI=1S/C23H28F3N5O5S/c24-23(25,26)16-4-1-5-17(14-16)37(34,35)31-19(21(32)33)13-15-6-7-20(18(27)12-15)36-11-3-10-30-22-28-8-2-9-29-22/h1,4-7,12,14,19,31H,2-3,8-11,13,27H2,(H,32,33)(H2,28,29,30)/t19-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378333
PNG
(CHEMBL583214)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C21H26F3N5O5S/c22-21(23,24)14-4-3-5-15(12-14)35(32,33)29-17(19(30)31)11-13-6-7-18(16(25)10-13)34-9-2-1-8-28-20(26)27/h3-7,10,12,17,29H,1-2,8-9,11,25H2,(H,30,31)(H4,26,27,28)/t17-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378332
PNG
(CHEMBL584165)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C20H24F3N5O5S/c21-20(22,23)13-3-1-4-14(11-13)34(31,32)28-16(18(29)30)10-12-5-6-17(15(24)9-12)33-8-2-7-27-19(25)26/h1,3-6,9,11,16,28H,2,7-8,10,24H2,(H,29,30)(H4,25,26,27)/t16-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378338
PNG
(CHEMBL573961)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H46F3N5O10S/c1-50-15-16-51-17-18-52-19-20-53-24-33(45)42-29-21-25(22-30(35(46)47)44-55(48,49)28-7-2-6-27(23-28)36(37,38)39)8-10-31(29)54-14-4-13-40-32-11-9-26-5-3-12-41-34(26)43-32/h2,6-11,21,23,30,44H,3-5,12-20,22,24H2,1H3,(H,42,45)(H,46,47)(H2,40,41,43)/t30-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378322
PNG
(CHEMBL566784)
Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1 |r|
Show InChI InChI=1S/C23H28F3N5O5S/c24-23(25,26)16-4-1-5-17(14-16)37(34,35)31-19(21(32)33)13-15-6-7-20(18(27)12-15)36-11-3-10-30-22-28-8-2-9-29-22/h1,4-7,12,14,19,31H,2-3,8-11,13,27H2,(H,32,33)(H2,28,29,30)/t19-/m0/s1
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n/an/a 21.3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378336
PNG
(CHEMBL574136)
Show SMILES NCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C35H45F3N6O9S/c36-35(37,38)26-5-1-6-27(22-26)54(48,49)44-29(34(46)47)21-24-7-9-30(28(20-24)42-32(45)23-52-19-18-51-17-16-50-15-11-39)53-14-3-13-40-31-10-8-25-4-2-12-41-33(25)43-31/h1,5-10,20,22,29,44H,2-4,11-19,21,23,39H2,(H,42,45)(H,46,47)(H2,40,41,43)/t29-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378332
PNG
(CHEMBL584165)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C20H24F3N5O5S/c21-20(22,23)13-3-1-4-14(11-13)34(31,32)28-16(18(29)30)10-12-5-6-17(15(24)9-12)33-8-2-7-27-19(25)26/h1,3-6,9,11,16,28H,2,7-8,10,24H2,(H,29,30)(H4,25,26,27)/t16-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378328
PNG
(CHEMBL573683)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C34H44F3N5O9S/c1-24-9-12-40-31(19-24)39-11-2-3-13-51-30-8-7-25(20-28(30)41-32(43)23-50-18-17-49-16-15-48-14-10-38)21-29(33(44)45)42-52(46,47)27-6-4-5-26(22-27)34(35,36)37/h4-9,12,19-20,22,29,42H,2-3,10-11,13-18,21,23,38H2,1H3,(H,39,40)(H,41,43)(H,44,45)/t29-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378324
PNG
(CHEMBL567645)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccccn1 |r|
Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)17-5-3-6-18(15-17)37(34,35)31-20(23(32)33)14-16-8-9-21(19(28)13-16)36-12-4-11-30-22-7-1-2-10-29-22/h1-3,5-10,13,15,20,31H,4,11-12,14,28H2,(H,29,30)(H,32,33)/t20-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378329
PNG
(CHEMBL573907)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCOCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C40H56F3N5O12S/c1-30-9-12-46-37(25-30)45-11-2-3-13-60-36-8-7-31(27-35(39(50)51)48-61(52,53)33-6-4-5-32(28-33)40(41,42)43)26-34(36)47-38(49)29-59-24-23-58-22-21-57-20-19-56-18-17-55-16-15-54-14-10-44/h4-9,12,25-26,28,35,48H,2-3,10-11,13-24,27,29,44H2,1H3,(H,45,46)(H,47,49)(H,50,51)/t35-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378327
PNG
(CHEMBL575868)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C28H31F3N4O6S/c1-18-10-12-33-26(14-18)32-11-3-4-13-41-25-9-8-20(15-23(25)34-19(2)36)16-24(27(37)38)35-42(39,40)22-7-5-6-21(17-22)28(29,30)31/h5-10,12,14-15,17,24,35H,3-4,11,13,16H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t24-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378337
PNG
(CHEMBL584588)
Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C41H57F3N6O12S/c42-41(43,44)32-5-1-6-33(28-32)63(54,55)50-35(40(52)53)27-30-7-9-36(62-14-3-13-46-37-10-8-31-4-2-12-47-39(31)49-37)34(26-30)48-38(51)29-61-25-24-60-23-22-59-21-20-58-19-18-57-17-16-56-15-11-45/h1,5-10,26,28,35,50H,2-4,11-25,27,29,45H2,(H,48,51)(H,52,53)(H2,46,47,49)/t35-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378330
PNG
(CHEMBL583966)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C35H45F3N4O10S/c1-25-10-12-40-32(20-25)39-11-3-4-13-52-31-9-8-26(21-29(31)41-33(43)24-51-19-18-50-17-16-49-15-14-48-2)22-30(34(44)45)42-53(46,47)28-7-5-6-27(23-28)35(36,37)38/h5-10,12,20-21,23,30,42H,3-4,11,13-19,22,24H2,1-2H3,(H,39,40)(H,41,43)(H,44,45)/t30-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378325
PNG
(CHEMBL567617)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1ccccn1 |r|
Show InChI InChI=1S/C25H27F3N4O5S/c26-25(27,28)18-6-5-7-19(16-18)38(35,36)32-21(24(33)34)15-17-9-10-22(20(29)14-17)37-13-4-3-12-31-23-8-1-2-11-30-23/h1-2,5-11,14,16,21,32H,3-4,12-13,15,29H2,(H,30,31)(H,33,34)/t21-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378335
PNG
(CHEMBL574135)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C29H31F3N4O6S/c1-18(37)34-24-15-19(9-12-26(24)42-14-4-7-22-11-10-20-5-3-13-33-27(20)35-22)16-25(28(38)39)36-43(40,41)23-8-2-6-21(17-23)29(30,31)32/h2,6,8-12,15,17,25,36H,3-5,7,13-14,16H2,1H3,(H,33,35)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378323
PNG
(CHEMBL565478)
Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1 |r|
Show InChI InChI=1S/C24H30F3N5O5S/c25-24(26,27)17-5-3-6-18(15-17)38(35,36)32-20(22(33)34)14-16-7-8-21(19(28)13-16)37-12-2-1-9-29-23-30-10-4-11-31-23/h3,5-8,13,15,20,32H,1-2,4,9-12,14,28H2,(H,33,34)(H2,29,30,31)/t20-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378326
PNG
(CHEMBL568500)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)c1 |r|
Show InChI InChI=1S/C26H29F3N4O5S/c1-17-9-11-32-24(13-17)31-10-2-3-12-38-23-8-7-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-6-4-5-19(16-20)26(27,28)29/h4-9,11,13-14,16,22,33H,2-3,10,12,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006330
PNG
(3-{2-[2-(2-Amino-acetylamino)-5-guanidino-pentanoy...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C17H30N8O9/c18-5-11(27)23-8(2-1-3-21-17(19)20)14(31)22-6-12(28)24-9(4-13(29)30)15(32)25-10(7-26)16(33)34/h8-10,26H,1-7,18H2,(H,22,31)(H,23,27)(H,24,28)(H,25,32)(H,29,30)(H,33,34)(H4,19,20,21)/t8-,9-,10-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378331
PNG
(CHEMBL566785)
Show SMILES Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1 |r|
Show InChI InChI=1S/C26H29F3N4O5S/c1-17-6-4-9-24(32-17)31-12-2-3-13-38-23-11-10-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-8-5-7-19(16-20)26(27,28)29/h4-11,14,16,22,33H,2-3,12-13,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378320
PNG
(CHEMBL566339)
Show SMILES NCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C19H22F3N3O5S/c20-19(21,22)13-3-1-4-14(11-13)31(28,29)25-16(18(26)27)10-12-5-6-17(15(24)9-12)30-8-2-7-23/h1,3-6,9,11,16,25H,2,7-8,10,23-24H2,(H,26,27)/t16-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50313793
PNG
((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378321
PNG
(CHEMBL568070)
Show SMILES NCCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C20H24F3N3O5S/c21-20(22,23)14-4-3-5-15(12-14)32(29,30)26-17(19(27)28)11-13-6-7-18(16(25)10-13)31-9-2-1-8-24/h3-7,10,12,17,26H,1-2,8-9,11,24-25H2,(H,27,28)/t17-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378334
PNG
(CHEMBL566776)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C28H31F3N4O5S/c29-28(30,31)20-6-3-8-22(17-20)41(38,39)35-24(27(36)37)16-18-9-12-25(23(32)15-18)40-14-2-1-7-21-11-10-19-5-4-13-33-26(19)34-21/h3,6,8-12,15,17,24,35H,1-2,4-5,7,13-14,16,32H2,(H,33,34)(H,36,37)/t24-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378321
PNG
(CHEMBL568070)
Show SMILES NCCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C20H24F3N3O5S/c21-20(22,23)14-4-3-5-15(12-14)32(29,30)26-17(19(27)28)11-13-6-7-18(16(25)10-13)31-9-2-1-8-24/h3-7,10,12,17,26H,1-2,8-9,11,24-25H2,(H,27,28)/t17-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378320
PNG
(CHEMBL566339)
Show SMILES NCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C19H22F3N3O5S/c20-19(21,22)13-3-1-4-14(11-13)31(28,29)25-16(18(26)27)10-12-5-6-17(15(24)9-12)30-8-2-7-23/h1,3-6,9,11,16,25H,2,7-8,10,23-24H2,(H,26,27)/t16-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50414896
PNG
(CHEMBL417553)
Show SMILES [#7]-[#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]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H30N8O9/c18-5-11(27)23-8(2-1-3-21-17(19)20)14(31)22-6-12(28)24-9(4-13(29)30)15(32)25-10(7-26)16(33)34/h8-10,26H,1-7,18H2,(H,22,31)(H,23,27)(H,24,28)(H,25,32)(H,29,30)(H,33,34)(H4,19,20,21)/t8-,9-,10-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair