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Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'griggs' and Initial = 'dw'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-5


(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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n/an/a 0.100n/an/an/an/an/an/a



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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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n/an/a 0.100n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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


(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 human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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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n/an/a 0.100n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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


(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 vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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 human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/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/a7.425



Saint Louis University

US Patent


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


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-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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n/an/a 0.200n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


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


(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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Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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 vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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 vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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


(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 human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


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))
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 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-V/beta-3


(Homo sapiens (Human))
BDBM50209479
PNG
((beta1S)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O5/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m0/s1
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Article
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209482
PNG
((3S)-3-(5-chloro-2-hydroxy-3-methylphenyl)-3-(2-(3...)
Show SMILES [#6]-c1cc(Cl)cc(-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c2cc(-[#8])cc(c2)\[#7]=[#6]-2\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-2)c1-[#8]
Show InChI InChI=1S/C23H26ClN5O7/c1-11-2-13(24)5-17(21(11)35)18(7-20(33)34)29-19(32)10-25-22(36)12-3-14(6-15(30)4-12)28-23-26-8-16(31)9-27-23/h2-6,16,18,30-31,35H,7-10H2,1H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(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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n/an/a 0.200n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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


(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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n/an/a 0.200n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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


(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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Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-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 human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


US Patent US10577330 (2020)


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


(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 0.200n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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


(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 vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(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 human vitronectin (R& D Systems, 2308-VN) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2,...


US Patent US10577330 (2020)


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


(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 vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


US Patent US10577330 (2020)


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

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


US Patent US10577330 (2020)


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


(Homo sapiens (Human))
BDBM279576
PNG
((3S)-3-(3-bromo-5-(trifluoromethoxy)phenyl)-3-(2-(...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
Show InChI InChI=1S/C23H23BrF3N5O7/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 protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(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 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R& D Systems, 2308-VN) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2,...


US Patent US10035778 (2018)


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


(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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n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-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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n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


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


(Homo sapiens (Human))
BDBM279576
PNG
((3S)-3-(3-bromo-5-(trifluoromethoxy)phenyl)-3-(2-(...)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
Show InChI InChI=1S/C23H23BrF3N5O7/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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n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


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


(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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Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


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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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-V/beta-8


(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 protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


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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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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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-V/beta-5


(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

US Patent


Assay Description
Recombinant human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM...


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))
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

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-V/beta-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

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


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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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-V/beta-8


(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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Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ...


US Patent US10577330 (2020)


BindingDB Entry DOI: 10.7270/Q2862JVR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209446
PNG
((3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209459
PNG
((3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydro...)
Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
Show InChI InChI=1S/C22H24ClIN6O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-12(25)5-13(2-10)29-22-27-7-14(31)8-28-22/h1-5,14,17,31,35H,6-9,25H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209471
PNG
((3S)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(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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Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/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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Saint Louis University

US Patent


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


US Patent US10035778 (2018)


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


(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 protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


BindingDB Entry DOI: 10.7270/Q24M96KK
More data for this
Ligand-Target Pair
Integrin alpha-V/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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Saint Louis University

US Patent


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

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-V/beta-5


(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
Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ...


US Patent US10035778 (2018)


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

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


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


US Patent US10035778 (2018)


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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Saint Louis University

US Patent


Assay Description
Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C...


US Patent US10035778 (2018)


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