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Compile Data Set for Download or QSAR

Found 282 hits of ic50 for UniProtKB: P26012   
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-V/beta-8


(Homo sapiens (Human))
BDBM50530090
PNG
(CHEMBL4443665)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,c:37,40,t:34|
Show InChI InChI=1S/C58H90BF2N15O12/c1-34(2)27-41-53(84)71-40(15-13-25-66-58(62)63)52(83)67-32-49(79)70-42(31-51(81)82)54(85)72-43(28-35(3)4)56(87)74-26-14-17-45(74)57(88)73(7)44(55(86)68-33-50(80)69-41)16-10-12-24-64-47(77)18-9-8-11-23-65-48(78)22-21-38-19-20-39-30-46-36(5)29-37(6)75(46)59(60,61)76(38)39/h19-20,29-30,34-35,40-45H,8-18,21-28,31-33H2,1-7H3,(H,64,77)(H,65,78)(H,67,83)(H,68,86)(H,69,80)(H,70,79)(H,71,84)(H,72,85)(H,81,82)(H4,62,63,66)/t40-,41-,42-,43-,44-,45+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530090
PNG
(CHEMBL4443665)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,c:37,40,t:34|
Show InChI InChI=1S/C58H90BF2N15O12/c1-34(2)27-41-53(84)71-40(15-13-25-66-58(62)63)52(83)67-32-49(79)70-42(31-51(81)82)54(85)72-43(28-35(3)4)56(87)74-26-14-17-45(74)57(88)73(7)44(55(86)68-33-50(80)69-41)16-10-12-24-64-47(77)18-9-8-11-23-65-48(78)22-21-38-19-20-39-30-46-36(5)29-37(6)75(46)59(60,61)76(38)39/h19-20,29-30,34-35,40-45H,8-18,21-28,31-33H2,1-7H3,(H,64,77)(H,65,78)(H,67,83)(H,68,86)(H,69,80)(H,70,79)(H,71,84)(H,72,85)(H,81,82)(H4,62,63,66)/t40-,41-,42-,43-,44-,45+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
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
PDB

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US Patent
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-V/beta-8


(Homo sapiens (Human))
BDBM50497716
PNG
(CHEMBL3319237)
Show SMILES CC(C)(C)c1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:31|
Show InChI InChI=1S/C26H32BrN5O6/c1-26(2,3)16-4-14(5-17(27)8-16)21(10-23(36)37)32-22(35)13-28-24(38)15-6-18(9-19(33)7-15)31-25-29-11-20(34)12-30-25/h4-9,20-21,33-34H,10-13H2,1-3H3,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t21-/m0/s1
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MCE
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UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Antagonist activity at alphavbeta8 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-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/an/an/a



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))
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-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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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
PDB

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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 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))
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/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))
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 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
PDB

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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))
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

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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 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))
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
PDB

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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))
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
PDB

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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 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))
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
PDB

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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 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))
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
PDB

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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 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
PDB

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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-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 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))
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 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))
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 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))
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 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))
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 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))
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

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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))
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 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))
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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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))
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 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))
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 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))
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 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))
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 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))
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 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))
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

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))
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

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))
BDBM50209461
PNG
((3S)-3-(3-bromo-5-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(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)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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Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alphavbeta8 integrin receptor expressed in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorim...


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-V/beta-8


(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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n/an/a 0.700n/an/an/an/an/an/a



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))
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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n/an/a 0.700n/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))
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 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))
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 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))
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 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))
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 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))
BDBM50497714
PNG
(Glpg-0187 | Glpg0187)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNc1nc(C)nc(N2CCC(CC2)c2ccc3CCCNc3n2)c1C)C(O)=O |r|
Show InChI InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Antagonist activity at alphavbeta8 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-V/beta-8


(Homo sapiens (Human))
BDBM50497714
PNG
(Glpg-0187 | Glpg0187)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNc1nc(C)nc(N2CCC(CC2)c2ccc3CCCNc3n2)c1C)C(O)=O |r|
Show InChI InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to integrin alphavbeta8 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay


J Med Chem 62: 7543-7556 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00819
BindingDB Entry DOI: 10.7270/Q2S75KQH
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530119
PNG
(CHEMBL4449438)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Show InChI InChI=1S/C37H61N11O10/c1-19(2)15-23-32(54)44-22(9-6-12-40-37(38)39)31(53)41-18-28(49)43-24(17-29(50)51)33(55)46-25(16-20(3)4)35(57)48-14-8-11-27(48)36(58)47-13-7-10-26(47)34(56)42-21(5)30(52)45-23/h19-27H,6-18H2,1-5H3,(H,41,53)(H,42,56)(H,43,49)(H,44,54)(H,45,52)(H,46,55)(H,50,51)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530119
PNG
(CHEMBL4449438)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Show InChI InChI=1S/C37H61N11O10/c1-19(2)15-23-32(54)44-22(9-6-12-40-37(38)39)31(53)41-18-28(49)43-24(17-29(50)51)33(55)46-25(16-20(3)4)35(57)48-14-8-11-27(48)36(58)47-13-7-10-26(47)34(56)42-21(5)30(52)45-23/h19-27H,6-18H2,1-5H3,(H,41,53)(H,42,56)(H,43,49)(H,44,54)(H,45,52)(H,46,55)(H,50,51)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530088
PNG
(CHEMBL4520646)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Show InChI InChI=1S/C37H61N11O10/c1-6-20(4)29-34(56)44-22(10-7-13-40-37(38)39)31(53)41-18-27(49)43-23(17-28(50)51)32(54)45-24(16-19(2)3)35(57)48-15-9-12-26(48)36(58)47-14-8-11-25(47)33(55)42-21(5)30(52)46-29/h19-26,29H,6-18H2,1-5H3,(H,41,53)(H,42,55)(H,43,49)(H,44,56)(H,45,54)(H,46,52)(H,50,51)(H4,38,39,40)/t20-,21-,22-,23-,24-,25-,26+,29-/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530088
PNG
(CHEMBL4520646)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Show InChI InChI=1S/C37H61N11O10/c1-6-20(4)29-34(56)44-22(10-7-13-40-37(38)39)31(53)41-18-27(49)43-23(17-28(50)51)32(54)45-24(16-19(2)3)35(57)48-15-9-12-26(48)36(58)47-14-8-11-25(47)33(55)42-21(5)30(52)46-29/h19-26,29H,6-18H2,1-5H3,(H,41,53)(H,42,55)(H,43,49)(H,44,56)(H,45,54)(H,46,52)(H,50,51)(H4,38,39,40)/t20-,21-,22-,23-,24-,25-,26+,29-/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50209457
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O7/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alphavbeta8 integrin receptor expressed in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorim...


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-V/beta-8


(Homo sapiens (Human))
BDBM50530098
PNG
(CHEMBL4584228)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C40H59N11O10/c1-22(2)18-28-38(60)51-17-9-14-30(51)39(61)50-16-8-13-29(50)37(59)45-23(3)33(55)48-26(19-24-10-5-4-6-11-24)35(57)47-25(12-7-15-43-40(41)42)34(56)44-21-31(52)46-27(20-32(53)54)36(58)49-28/h4-6,10-11,22-23,25-30H,7-9,12-21H2,1-3H3,(H,44,56)(H,45,59)(H,46,52)(H,47,57)(H,48,55)(H,49,58)(H,53,54)(H4,41,42,43)/t23-,25-,26-,27-,28-,29-,30+/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM50530098
PNG
(CHEMBL4584228)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C40H59N11O10/c1-22(2)18-28-38(60)51-17-9-14-30(51)39(61)50-16-8-13-29(50)37(59)45-23(3)33(55)48-26(19-24-10-5-4-6-11-24)35(57)47-25(12-7-15-43-40(41)42)34(56)44-21-31(52)46-27(20-32(53)54)36(58)49-28/h4-6,10-11,22-23,25-30H,7-9,12-21H2,1-3H3,(H,44,56)(H,45,59)(H,46,52)(H,47,57)(H,48,55)(H,49,58)(H,53,54)(H4,41,42,43)/t23-,25-,26-,27-,28-,29-,30+/m0/s1
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Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay


J Med Chem 62: 2024-2037 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01588
BindingDB Entry DOI: 10.7270/Q26T0R53
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-8


(Homo sapiens (Human))
BDBM432094
PNG
(US10577330, Comparison Compound C3)
Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2O)=NC1 |c:35|
Show InChI InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



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))
BDBM50464106
PNG
(CHEMBL4237498)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r|
Show InChI InChI=1S/C27H35N3O4/c31-26(32)14-22(21-3-1-5-24(13-21)34-25-17-33-18-25)16-30-12-10-19(15-30)6-8-23-9-7-20-4-2-11-28-27(20)29-23/h1,3,5,7,9,13,19,22,25H,2,4,6,8,10-12,14-18H2,(H,28,29)(H,31,32)/t19-,22-/m1/s1
PDB

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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Antagonist activity at human integrin alphaVbeta8 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BC...


J Med Chem 61: 8417-8443 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
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