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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'rerat' and Initial = 'v'   
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
ITGA5/ITGB1


(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



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
More data for this
Ligand-Target Pair
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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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
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50313795
PNG
((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
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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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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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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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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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
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50313794
PNG
((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...)
Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
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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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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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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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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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))
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))
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))
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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n/an/a 121n/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))
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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n/an/a 141n/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))
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