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Compile Data Set for Download or QSAR

Found 916 hits of ic50 for UniProtKB: P08648   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-5/beta-1


(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
Integrin alpha-5/beta-6/beta-8


(Homo sapiens (Human))
BDBM297773
PNG
(US10118929, Compound A1)
Show SMILES OC(=O)CC(N1CCN(CCCCNc2nc3ccccc3[nH]2)C1=O)c1cccc(c1)C(F)(F)F
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n/an/a 0.130n/an/an/an/an/an/a



SciFluor Life Sciences, Inc.

US Patent


Assay Description
The optimized protocol was validated by employing reference compounds such as Cilengitide (+Vβ3/αVβ5−VN interaction) and CWHM12 ...


US Patent US10118929 (2018)


BindingDB Entry DOI: 10.7270/Q2V126WM
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50138318
PNG
((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
Show InChI InChI=1S/C33H38N6O8S/c1-21-13-22(2)29(23(3)14-21)48(44,45)38-27(31(41)42)18-36-30(40)26-16-33(47-37-26)15-25(17-35-28-11-7-8-12-34-28)39(20-33)32(43)46-19-24-9-5-4-6-10-24/h4-14,25,27,38H,15-20H2,1-3H3,(H,34,35)(H,36,40)(H,41,42)/t25-,27-,33-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...


Bioorg Med Chem Lett 14: 383-7 (2003)


BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50138318
PNG
((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
Show InChI InChI=1S/C33H38N6O8S/c1-21-13-22(2)29(23(3)14-21)48(44,45)38-27(31(41)42)18-36-30(40)26-16-33(47-37-26)15-25(17-35-28-11-7-8-12-34-28)39(20-33)32(43)46-19-24-9-5-4-6-10-24/h4-14,25,27,38H,15-20H2,1-3H3,(H,34,35)(H,36,40)(H,41,42)/t25-,27-,33-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Università di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of alpha5-beta1 integrin receptor in ELISA


J Med Chem 48: 4204-7 (2005)


Article DOI: 10.1021/jm040224i
BindingDB Entry DOI: 10.7270/Q2CZ36NT
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279573
PNG
((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279568
PNG
((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(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
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279568
PNG
((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279569
PNG
((3S)-3-[3,5-bis(trifluoromethyl)phenyl)-3-(2-(3-hy...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40|
Show InChI InChI=1S/C24H23F6N5O6/c25-23(26,27)13-1-11(2-14(5-13)24(28,29)30)18(7-20(39)40)35-19(38)10-31-21(41)12-3-15(6-16(36)4-12)34-22-32-8-17(37)9-33-22/h1-6,17-18,36-37H,7-10H2,(H,31,41)(H,35,38)(H,39,40)(H2,32,33,34)/t18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279568
PNG
((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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NCI pathway
Reactome pathway
KEGG

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n/an/a 0.300n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279561
PNG
((3S)-3-(3-bromo-5-(trifluoromethyl)phenyl)-3-(2-(3...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37|
Show InChI InChI=1S/C23H23BrF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279566
PNG
((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl]3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22ClF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50497721
PNG
(CHEMBL3319235)
Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc(C=C)[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |r,c:24|
Show InChI InChI=1S/C30H41N7O8S/c1-6-8-9-44-29(41)37-17-30(12-22(37)15-33-28-32-14-21(7-2)34-28)13-23(35-45-30)26(38)31-16-24(27(39)40)36-46(42,43)25-19(4)10-18(3)11-20(25)5/h7,10-11,14,22,24,36H,2,6,8-9,12-13,15-17H2,1,3-5H3,(H,31,38)(H,39,40)(H2,32,33,34)/t22-,24-,30-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Antagonist activity at alpha5beta1 integrin receptor (unknown origin) by cell-free ELISA


J Med Chem 57: 6301-15 (2014)


Article DOI: 10.1021/jm5000547
BindingDB Entry DOI: 10.7270/Q2NS0XW8
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50138313
PNG
((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...)
Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27|
Show InChI InChI=1S/C32H41N7O8S/c1-5-6-11-46-31(43)39-18-32(14-22(39)16-34-30-35-23-9-7-8-10-24(23)36-30)15-25(37-47-32)28(40)33-17-26(29(41)42)38-48(44,45)27-20(3)12-19(2)13-21(27)4/h7-10,12-13,22,26,38H,5-6,11,14-18H2,1-4H3,(H,33,40)(H,41,42)(H2,34,35,36)/t22-,26-,32-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Università di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of alpha5-beta1 integrin receptor in ELISA


J Med Chem 48: 4204-7 (2005)


Article DOI: 10.1021/jm040224i
BindingDB Entry DOI: 10.7270/Q2CZ36NT
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50138313
PNG
((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...)
Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27|
Show InChI InChI=1S/C32H41N7O8S/c1-5-6-11-46-31(43)39-18-32(14-22(39)16-34-30-35-23-9-7-8-10-24(23)36-30)15-25(37-47-32)28(40)33-17-26(29(41)42)38-48(44,45)27-20(3)12-19(2)13-21(27)4/h7-10,12-13,22,26,38H,5-6,11,14-18H2,1-4H3,(H,33,40)(H,41,42)(H2,34,35,36)/t22-,26-,32-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...


Bioorg Med Chem Lett 14: 383-7 (2003)


BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279560
PNG
((3S)-3-(3,5-dibromophenyl)-3-(2-(3-hydroxy-5-((5-h...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23Br2N5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279562
PNG
((3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C23H24ClF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279563
PNG
((3S)-3-[3-bromo-5-(difluoromethyl)phenyl)-3-(2-(3-...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C23H24BrF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279565
PNG
((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279567
PNG
((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-V


(Homo sapiens (Human))
BDBM279570
PNG
((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279572
PNG
((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

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Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279573
PNG
((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279562
PNG
((3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C23H24ClF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279575
PNG
((3S)-3-[3-chloro-5-(trifluoromethoxy)phenyl)-3-(2-...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
Show InChI InChI=1S/C23H23ClF3N5O7/c24-13-1-11(4-17(5-13)39-23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-2-14(6-15(33)3-12)31-22-29-8-16(34)9-30-22/h1-6,16,18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1
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Saint Louis University

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Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279575
PNG
((3S)-3-[3-chloro-5-(trifluoromethoxy)phenyl)-3-(2-...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
Show InChI InChI=1S/C23H23ClF3N5O7/c24-13-1-11(4-17(5-13)39-23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-2-14(6-15(33)3-12)31-22-29-8-16(34)9-30-22/h1-6,16,18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279570
PNG
((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279570
PNG
((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279568
PNG
((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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Saint Louis University

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Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279570
PNG
((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279564
PNG
((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl)-3-(2-(...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37|
Show InChI InChI=1S/C23H23ClF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1
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Saint Louis University

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Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279562
PNG
((3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C23H24ClF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279565
PNG
((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50217428
PNG
(2S,3R,5S-4-{[2-carboxy-2-(2,4,6-trimethyl-benzoyla...)
Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
Show InChI InChI=1S/C34H41N5O8/c1-21-12-22(2)31(23(3)13-21)32(41)38-28(33(42)43)17-37-30(40)20-46-27-14-25(16-36-29-15-26(45-4)10-11-35-29)39(18-27)34(44)47-19-24-8-6-5-7-9-24/h5-13,15,25,27-28H,14,16-20H2,1-4H3,(H,35,36)(H,37,40)(H,38,41)(H,42,43)/t25-,27+,28-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


J Med Chem 50: 3786-94 (2007)


Article DOI: 10.1021/jm070002v
BindingDB Entry DOI: 10.7270/Q2PG1RFZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50217426
PNG
(2S,3R,5S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-meth...)
Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1
Show InChI InChI=1S/C30H47N5O7/c1-29(2,3)15-26(37)35-18-22(13-20(35)16-32-24-14-21(41-5)9-12-31-24)42-19-25(36)33-17-23(27(38)39)34-28(40)30(4)10-7-6-8-11-30/h9,12,14,20,22-23H,6-8,10-11,13,15-19H2,1-5H3,(H,31,32)(H,33,36)(H,34,40)(H,38,39)/t20-,22+,23-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


J Med Chem 50: 3786-94 (2007)


Article DOI: 10.1021/jm070002v
BindingDB Entry DOI: 10.7270/Q2PG1RFZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50217419
PNG
(2S,3R,5S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-meth...)
Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
Show InChI InChI=1S/C32H45N5O7/c1-19-10-20(2)29(21(3)11-19)30(40)36-25(31(41)42)16-35-27(38)18-44-24-12-22(37(17-24)28(39)14-32(4,5)6)15-34-26-13-23(43-7)8-9-33-26/h8-11,13,22,24-25H,12,14-18H2,1-7H3,(H,33,34)(H,35,38)(H,36,40)(H,41,42)/t22-,24+,25-/m0/s1
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Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


J Med Chem 50: 3786-94 (2007)


Article DOI: 10.1021/jm070002v
BindingDB Entry DOI: 10.7270/Q2PG1RFZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279574
PNG
((3S)-3-[3,5-dichloro-phenyl)-3-(2-(3-hydroxy-5-((5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Cl)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23Cl2N5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279573
PNG
((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279572
PNG
((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279572
PNG
((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-6


(Homo sapiens (Human))
BDBM279571
PNG
((3S)-3-[3-chloro-5-methyl-phenyl)-3-(2-(3-hydroxy-...)
Show SMILES Cc1cc(Cl)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Show InChI InChI=1S/C23H26ClN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279567
PNG
((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279567
PNG
((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279566
PNG
((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl]3-[[2-[...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C22H22ClF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H]


(Homo sapiens (Human))
BDBM279565
PNG
((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/alpha-8


(Homo sapiens (Human))
BDBM279563
PNG
((3S)-3-[3-bromo-5-(difluoromethyl)phenyl)-3-(2-(3-...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
Show InChI InChI=1S/C23H24BrF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279573
PNG
((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279572
PNG
((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279567
PNG
((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...)
Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM279565
PNG
((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
PDB

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US Patent
n/an/a 0.600n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
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