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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'reuning' and Initial = 'u'   
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-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-V/beta-6


(Homo sapiens (Human))		BDBM50530099
PNG
(CHEMBL4441624)
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](CCCCN)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C51H75N13O11/c1-30(2)25-35-45(70)57-31(3)43(68)62-38(27-33-17-9-6-10-18-33)49(74)64-24-14-21-40(64)50(75)63(4)39(20-11-12-22-52)48(73)61-36(26-32-15-7-5-8-16-32)46(71)59-34(19-13-23-55-51(53)54)44(69)56-29-41(65)58-37(28-42(66)67)47(72)60-35/h5-10,15-18,30-31,34-40H,11-14,19-29,52H2,1-4H3,(H,56,69)(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,73)(H,62,68)(H,66,67)(H4,53,54,55)/t31-,34-,35-,36-,37-,38-,39-,40+/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530099
PNG
(CHEMBL4441624)
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](CCCCN)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C51H75N13O11/c1-30(2)25-35-45(70)57-31(3)43(68)62-38(27-33-17-9-6-10-18-33)49(74)64-24-14-21-40(64)50(75)63(4)39(20-11-12-22-52)48(73)61-36(26-32-15-7-5-8-16-32)46(71)59-34(19-13-23-55-51(53)54)44(69)56-29-41(65)58-37(28-42(66)67)47(72)60-35/h5-10,15-18,30-31,34-40H,11-14,19-29,52H2,1-4H3,(H,56,69)(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,73)(H,62,68)(H,66,67)(H4,53,54,55)/t31-,34-,35-,36-,37-,38-,39-,40+/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530110
PNG
(CHEMBL4575627)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530110
PNG
(CHEMBL4575627)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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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n/an/a 1.30n/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))		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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n/an/a 1.30n/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))		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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n/an/a 1.5n/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))		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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n/an/a 1.5n/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))		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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n/an/a 1.80n/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))		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
PDB

UniProtKB/SwissProt

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n/an/a 1.80n/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))		BDBM50530140
PNG
(CHEMBL4445931)
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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C42H60N12O10/c1-22(2)17-30-40(63)54-16-8-13-32(54)41(64)53-15-7-12-31(53)39(62)48-23(3)35(58)51-28(18-24-20-46-26-10-5-4-9-25(24)26)37(60)50-27(11-6-14-45-42(43)44)36(59)47-21-33(55)49-29(19-34(56)57)38(61)52-30/h4-5,9-10,20,22-23,27-32,46H,6-8,11-19,21H2,1-3H3,(H,47,59)(H,48,62)(H,49,55)(H,50,60)(H,51,58)(H,52,61)(H,56,57)(H4,43,44,45)/t23-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 3.70n/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))		BDBM50530140
PNG
(CHEMBL4445931)
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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C42H60N12O10/c1-22(2)17-30-40(63)54-16-8-13-32(54)41(64)53-15-7-12-31(53)39(62)48-23(3)35(58)51-28(18-24-20-46-26-10-5-4-9-25(24)26)37(60)50-27(11-6-14-45-42(43)44)36(59)47-21-33(55)49-29(19-34(56)57)38(61)52-30/h4-5,9-10,20,22-23,27-32,46H,6-8,11-19,21H2,1-3H3,(H,47,59)(H,48,62)(H,49,55)(H,50,60)(H,51,58)(H,52,61)(H,56,57)(H4,43,44,45)/t23-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 3.70n/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))		BDBM50530125
PNG
(CHEMBL4541418)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C42H63N11O11/c1-22(2)19-29-40(63)53-18-10-15-31(53)41(64)52-17-9-14-30(52)38(61)46-23(3)34(57)48-27(20-25-11-6-5-7-12-25)36(59)47-26(13-8-16-45-42(43)44)35(58)51-33(24(4)54)39(62)49-28(21-32(55)56)37(60)50-29/h5-7,11-12,22-24,26-31,33,54H,8-10,13-21H2,1-4H3,(H,46,61)(H,47,59)(H,48,57)(H,49,62)(H,50,60)(H,51,58)(H,55,56)(H4,43,44,45)/t23-,24+,26-,27-,28-,29-,30-,31+,33-/m0/s1
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n/an/a 4.30n/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))		BDBM50530125
PNG
(CHEMBL4541418)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C42H63N11O11/c1-22(2)19-29-40(63)53-18-10-15-31(53)41(64)52-17-9-14-30(52)38(61)46-23(3)34(57)48-27(20-25-11-6-5-7-12-25)36(59)47-26(13-8-16-45-42(43)44)35(58)51-33(24(4)54)39(62)49-28(21-32(55)56)37(60)50-29/h5-7,11-12,22-24,26-31,33,54H,8-10,13-21H2,1-4H3,(H,46,61)(H,47,59)(H,48,57)(H,49,62)(H,50,60)(H,51,58)(H,55,56)(H4,43,44,45)/t23-,24+,26-,27-,28-,29-,30-,31+,33-/m0/s1
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n/an/a 4.30n/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))		BDBM50530103
PNG
(CHEMBL4546687)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=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/C36H59N11O10/c1-19(2)14-22-31(53)44-21(8-5-11-39-36(37)38)30(52)40-17-27(48)43-23(16-29(50)51)32(54)45-24(15-20(3)4)34(56)47-13-7-10-26(47)35(57)46-12-6-9-25(46)33(55)41-18-28(49)42-22/h19-26H,5-18H2,1-4H3,(H,40,52)(H,41,55)(H,42,49)(H,43,48)(H,44,53)(H,45,54)(H,50,51)(H4,37,38,39)/t21-,22-,23-,24-,25-,26+/m0/s1
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n/an/a 4.5n/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))		BDBM50530103
PNG
(CHEMBL4546687)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=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/C36H59N11O10/c1-19(2)14-22-31(53)44-21(8-5-11-39-36(37)38)30(52)40-17-27(48)43-23(16-29(50)51)32(54)45-24(15-20(3)4)34(56)47-13-7-10-26(47)35(57)46-12-6-9-25(46)33(55)41-18-28(49)42-22/h19-26H,5-18H2,1-4H3,(H,40,52)(H,41,55)(H,42,49)(H,43,48)(H,44,53)(H,45,54)(H,50,51)(H4,37,38,39)/t21-,22-,23-,24-,25-,26+/m0/s1
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n/an/a 4.5n/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))		BDBM50530124
PNG
(CHEMBL4537950)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=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/C41H61N11O11/c1-22(2)18-28-39(62)52-17-9-14-31(52)40(63)51-16-8-13-30(51)38(61)45-23(3)33(56)47-26(19-24-10-5-4-6-11-24)35(58)46-25(12-7-15-44-41(42)43)34(57)50-29(21-53)37(60)48-27(20-32(54)55)36(59)49-28/h4-6,10-11,22-23,25-31,53H,7-9,12-21H2,1-3H3,(H,45,61)(H,46,58)(H,47,56)(H,48,60)(H,49,59)(H,50,57)(H,54,55)(H4,42,43,44)/t23-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 5.80n/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))		BDBM50530124
PNG
(CHEMBL4537950)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=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/C41H61N11O11/c1-22(2)18-28-39(62)52-17-9-14-31(52)40(63)51-16-8-13-30(51)38(61)45-23(3)33(56)47-26(19-24-10-5-4-6-11-24)35(58)46-25(12-7-15-44-41(42)43)34(57)50-29(21-53)37(60)48-27(20-32(54)55)36(59)49-28/h4-6,10-11,22-23,25-31,53H,7-9,12-21H2,1-3H3,(H,45,61)(H,46,58)(H,47,56)(H,48,60)(H,49,59)(H,50,57)(H,54,55)(H4,42,43,44)/t23-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 5.80n/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))		BDBM50530122
PNG
(CHEMBL4577219)
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](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C35H55N11O12/c1-17(2)13-22-33(57)46-12-6-9-24(46)34(58)45-11-5-8-23(45)32(56)40-18(3)28(52)43-21(15-27(50)51)31(55)42-19(7-4-10-38-35(36)37)29(53)39-16-25(47)41-20(14-26(48)49)30(54)44-22/h17-24H,4-16H2,1-3H3,(H,39,53)(H,40,56)(H,41,47)(H,42,55)(H,43,52)(H,44,54)(H,48,49)(H,50,51)(H4,36,37,38)/t18-,19-,20-,21-,22-,23-,24+/m0/s1
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n/an/a 6.30n/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))		BDBM50530122
PNG
(CHEMBL4577219)
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](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C35H55N11O12/c1-17(2)13-22-33(57)46-12-6-9-24(46)34(58)45-11-5-8-23(45)32(56)40-18(3)28(52)43-21(15-27(50)51)31(55)42-19(7-4-10-38-35(36)37)29(53)39-16-25(47)41-20(14-26(48)49)30(54)44-22/h17-24H,4-16H2,1-3H3,(H,39,53)(H,40,56)(H,41,47)(H,42,55)(H,43,52)(H,44,54)(H,48,49)(H,50,51)(H4,36,37,38)/t18-,19-,20-,21-,22-,23-,24+/m0/s1
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n/an/a 6.30n/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))		BDBM50530120
PNG
(CHEMBL4455010)
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](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C39H57N11O10/c1-21(2)18-26-37(59)50-17-9-14-28(50)38(60)49-16-8-13-27(49)35(57)44-22(3)32(54)48-31(23-10-5-4-6-11-23)36(58)46-24(12-7-15-42-39(40)41)33(55)43-20-29(51)45-25(19-30(52)53)34(56)47-26/h4-6,10-11,21-22,24-28,31H,7-9,12-20H2,1-3H3,(H,43,55)(H,44,57)(H,45,51)(H,46,58)(H,47,56)(H,48,54)(H,52,53)(H4,40,41,42)/t22-,24-,25-,26-,27-,28+,31-/m0/s1
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n/an/a 6.40n/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))		BDBM50530120
PNG
(CHEMBL4455010)
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](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C39H57N11O10/c1-21(2)18-26-37(59)50-17-9-14-28(50)38(60)49-16-8-13-27(49)35(57)44-22(3)32(54)48-31(23-10-5-4-6-11-23)36(58)46-24(12-7-15-42-39(40)41)33(55)43-20-29(51)45-25(19-30(52)53)34(56)47-26/h4-6,10-11,21-22,24-28,31H,7-9,12-20H2,1-3H3,(H,43,55)(H,44,57)(H,45,51)(H,46,58)(H,47,56)(H,48,54)(H,52,53)(H4,40,41,42)/t22-,24-,25-,26-,27-,28+,31-/m0/s1
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n/an/a 6.40n/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))		BDBM50530121
PNG
(CHEMBL4437241)
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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C37H62N12O10/c1-20(2)17-25-35(58)49-16-8-12-27(49)36(59)48-15-7-11-26(48)34(57)43-21(3)30(53)45-23(9-4-5-13-38)32(55)46-22(10-6-14-41-37(39)40)31(54)42-19-28(50)44-24(18-29(51)52)33(56)47-25/h20-27H,4-19,38H2,1-3H3,(H,42,54)(H,43,57)(H,44,50)(H,45,53)(H,46,55)(H,47,56)(H,51,52)(H4,39,40,41)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
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n/an/a 7.30n/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))		BDBM50530121
PNG
(CHEMBL4437241)
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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C37H62N12O10/c1-20(2)17-25-35(58)49-16-8-12-27(49)36(59)48-15-7-11-26(48)34(57)43-21(3)30(53)45-23(9-4-5-13-38)32(55)46-22(10-6-14-41-37(39)40)31(54)42-19-28(50)44-24(18-29(51)52)33(56)47-25/h20-27H,4-19,38H2,1-3H3,(H,42,54)(H,43,57)(H,44,50)(H,45,53)(H,46,55)(H,47,56)(H,51,52)(H4,39,40,41)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 7.30n/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))		BDBM50530086
PNG
(CHEMBL4470642)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)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|
Show InChI InChI=1S/C40H68N12O11/c1-22(2)17-26-35(59)49-25(11-9-15-44-40(41)42)34(58)45-20-31(54)48-27(19-33(56)57)36(60)50-28(18-23(3)4)38(62)52-16-10-13-30(52)39(63)51(6)29(12-7-8-14-43-24(5)53)37(61)46-21-32(55)47-26/h22-23,25-30H,7-21H2,1-6H3,(H,43,53)(H,45,58)(H,46,61)(H,47,55)(H,48,54)(H,49,59)(H,50,60)(H,56,57)(H4,41,42,44)/t25-,26-,27-,28-,29-,30+/m0/s1
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n/an/a 8n/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))		BDBM50530086
PNG
(CHEMBL4470642)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)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|
Show InChI InChI=1S/C40H68N12O11/c1-22(2)17-26-35(59)49-25(11-9-15-44-40(41)42)34(58)45-20-31(54)48-27(19-33(56)57)36(60)50-28(18-23(3)4)38(62)52-16-10-13-30(52)39(63)51(6)29(12-7-8-14-43-24(5)53)37(61)46-21-32(55)47-26/h22-23,25-30H,7-21H2,1-6H3,(H,43,53)(H,45,58)(H,46,61)(H,47,55)(H,48,54)(H,49,59)(H,50,60)(H,56,57)(H4,41,42,44)/t25-,26-,27-,28-,29-,30+/m0/s1
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n/an/a 8n/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))		BDBM50530142
PNG
(CHEMBL4456161)
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](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C34H55N11O10/c1-17(2)14-22-32(54)45-13-7-10-24(45)33(55)44-12-6-9-23(44)31(53)40-18(3)27(49)39-19(4)28(50)42-20(8-5-11-37-34(35)36)29(51)38-16-25(46)41-21(15-26(47)48)30(52)43-22/h17-24H,5-16H2,1-4H3,(H,38,51)(H,39,49)(H,40,53)(H,41,46)(H,42,50)(H,43,52)(H,47,48)(H4,35,36,37)/t18-,19-,20-,21-,22-,23-,24+/m0/s1
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n/an/a 8.10n/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))		BDBM50530142
PNG
(CHEMBL4456161)
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](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C34H55N11O10/c1-17(2)14-22-32(54)45-13-7-10-24(45)33(55)44-12-6-9-23(44)31(53)40-18(3)27(49)39-19(4)28(50)42-20(8-5-11-37-34(35)36)29(51)38-16-25(46)41-21(15-26(47)48)30(52)43-22/h17-24H,5-16H2,1-4H3,(H,38,51)(H,39,49)(H,40,53)(H,41,46)(H,42,50)(H,43,52)(H,47,48)(H4,35,36,37)/t18-,19-,20-,21-,22-,23-,24+/m0/s1
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n/an/a 8.10n/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-6


(Homo sapiens (Human))		BDBM50530106
PNG
(CHEMBL4531123)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)49-23(5)34(60)48-24(6)36(62)54-29(18-22(3)4)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)50-25(7)35(61)52-26(11-8-14-46-43(44)45)37(63)47-20-32(57)51-28(19-33(58)59)39(65)53-27/h21-31H,8-20H2,1-7H3,(H,47,63)(H,48,60)(H,49,64)(H,50,66)(H,51,57)(H,52,61)(H,53,65)(H,54,62)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530106
PNG
(CHEMBL4531123)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)49-23(5)34(60)48-24(6)36(62)54-29(18-22(3)4)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)50-25(7)35(61)52-26(11-8-14-46-43(44)45)37(63)47-20-32(57)51-28(19-33(58)59)39(65)53-27/h21-31H,8-20H2,1-7H3,(H,47,63)(H,48,60)(H,49,64)(H,50,66)(H,51,57)(H,52,61)(H,53,65)(H,54,62)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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))		BDBM50530105
PNG
(CHEMBL4530946)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=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/C42H65N11O10/c1-23(2)18-28-37(59)49-27(14-10-16-45-42(43)44)36(58)46-22-33(54)48-29(21-34(55)56)38(60)51-30(19-24(3)4)40(62)52(6)32(20-26-12-8-7-9-13-26)41(63)53-17-11-15-31(53)39(61)47-25(5)35(57)50-28/h7-9,12-13,23-25,27-32H,10-11,14-22H2,1-6H3,(H,46,58)(H,47,61)(H,48,54)(H,49,59)(H,50,57)(H,51,60)(H,55,56)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 9.40n/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))		BDBM50530105
PNG
(CHEMBL4530946)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=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/C42H65N11O10/c1-23(2)18-28-37(59)49-27(14-10-16-45-42(43)44)36(58)46-22-33(54)48-29(21-34(55)56)38(60)51-30(19-24(3)4)40(62)52(6)32(20-26-12-8-7-9-13-26)41(63)53-17-11-15-31(53)39(61)47-25(5)35(57)50-28/h7-9,12-13,23-25,27-32H,10-11,14-22H2,1-6H3,(H,46,58)(H,47,61)(H,48,54)(H,49,59)(H,50,57)(H,51,60)(H,55,56)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 9.40n/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))		BDBM50530110
PNG
(CHEMBL4575627)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 10n/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))		BDBM50530110
PNG
(CHEMBL4575627)
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](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1
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n/an/a 10n/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))		BDBM50530113
PNG
(CHEMBL4514449)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CC(CN2C(=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)NC(C)=O |r|
Show InChI InChI=1S/C38H62N12O11/c1-19(2)12-24-33(57)47-23(8-6-10-41-38(39)40)32(56)42-16-29(52)46-25(15-31(54)55)34(58)48-26(13-20(3)4)36(60)49-11-7-9-27(49)37(61)50-18-22(44-21(5)51)14-28(50)35(59)43-17-30(53)45-24/h19-20,22-28H,6-18H2,1-5H3,(H,42,56)(H,43,59)(H,44,51)(H,45,53)(H,46,52)(H,47,57)(H,48,58)(H,54,55)(H4,39,40,41)/t22?,23-,24-,25-,26-,27+,28-/m0/s1
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n/an/a 11n/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))		BDBM50530113
PNG
(CHEMBL4514449)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CC(CN2C(=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)NC(C)=O |r|
Show InChI InChI=1S/C38H62N12O11/c1-19(2)12-24-33(57)47-23(8-6-10-41-38(39)40)32(56)42-16-29(52)46-25(15-31(54)55)34(58)48-26(13-20(3)4)36(60)49-11-7-9-27(49)37(61)50-18-22(44-21(5)51)14-28(50)35(59)43-17-30(53)45-24/h19-20,22-28H,6-18H2,1-5H3,(H,42,56)(H,43,59)(H,44,51)(H,45,53)(H,46,52)(H,47,57)(H,48,58)(H,54,55)(H4,39,40,41)/t22?,23-,24-,25-,26-,27+,28-/m0/s1
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n/an/a 11n/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))		BDBM50530129
PNG
(CHEMBL4535143)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)N(C)C(=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/C39H68N12O10/c1-21(2)17-25-34(57)47-24(11-9-15-43-39(41)42)33(56)44-20-30(52)46-26(19-31(53)54)35(58)49-27(18-22(3)4)37(60)50(6)29(12-7-8-14-40)38(61)51-16-10-13-28(51)36(59)45-23(5)32(55)48-25/h21-29H,7-20,40H2,1-6H3,(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-,24-,25-,26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 12n/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))		BDBM50530129
PNG
(CHEMBL4535143)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)N(C)C(=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/C39H68N12O10/c1-21(2)17-25-34(57)47-24(11-9-15-43-39(41)42)33(56)44-20-30(52)46-26(19-31(53)54)35(58)49-27(18-22(3)4)37(60)50(6)29(12-7-8-14-40)38(61)51-16-10-13-28(51)36(59)45-23(5)32(55)48-25/h21-29H,7-20,40H2,1-6H3,(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-,24-,25-,26-,27-,28-,29+/m0/s1
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n/an/a 12n/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))		BDBM50530136
PNG
(CHEMBL4436381)
Show SMILES CCCCCCNC1C[C@@H]2N(C1)C(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O |r|
Show InChI InChI=1S/C42H72N12O10/c1-6-7-8-9-14-45-26-19-32-39(62)48-22-34(56)49-28(17-24(2)3)37(60)51-27(12-10-15-46-42(43)44)36(59)47-21-33(55)50-29(20-35(57)58)38(61)52-30(18-25(4)5)40(63)53-16-11-13-31(53)41(64)54(32)23-26/h24-32,45H,6-23H2,1-5H3,(H,47,59)(H,48,62)(H,49,56)(H,50,55)(H,51,60)(H,52,61)(H,57,58)(H4,43,44,46)/t26?,27-,28-,29-,30-,31+,32-/m0/s1
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n/an/a 13n/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))		BDBM50530136
PNG
(CHEMBL4436381)
Show SMILES CCCCCCNC1C[C@@H]2N(C1)C(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O |r|
Show InChI InChI=1S/C42H72N12O10/c1-6-7-8-9-14-45-26-19-32-39(62)48-22-34(56)49-28(17-24(2)3)37(60)51-27(12-10-15-46-42(43)44)36(59)47-21-33(55)50-29(20-35(57)58)38(61)52-30(18-25(4)5)40(63)53-16-11-13-31(53)41(64)54(32)23-26/h24-32,45H,6-23H2,1-5H3,(H,47,59)(H,48,62)(H,49,56)(H,50,55)(H,51,60)(H,52,61)(H,57,58)(H4,43,44,46)/t26?,27-,28-,29-,30-,31+,32-/m0/s1
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n/an/a 13n/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))		BDBM50530111
PNG
(CHEMBL4536436)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)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/C37H61N11O11/c1-19(2)14-22-31(54)43-21(8-5-11-40-37(38)39)30(53)41-17-28(50)42-23(16-29(51)52)32(55)45-24(15-20(3)4)35(58)48-13-7-10-27(48)36(59)47-12-6-9-26(47)34(57)46-25(18-49)33(56)44-22/h19-27,49H,5-18H2,1-4H3,(H,41,53)(H,42,50)(H,43,54)(H,44,56)(H,45,55)(H,46,57)(H,51,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
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n/an/a 13n/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))		BDBM50530111
PNG
(CHEMBL4536436)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)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/C37H61N11O11/c1-19(2)14-22-31(54)43-21(8-5-11-40-37(38)39)30(53)41-17-28(50)42-23(16-29(51)52)32(55)45-24(15-20(3)4)35(58)48-13-7-10-27(48)36(59)47-12-6-9-26(47)34(57)46-25(18-49)33(56)44-22/h19-27,49H,5-18H2,1-4H3,(H,41,53)(H,42,50)(H,43,54)(H,44,56)(H,45,55)(H,46,57)(H,51,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1
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n/an/a 13n/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-6


(Homo sapiens (Human))		BDBM50530134
PNG
(CHEMBL4525309)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-37(63)48-23(5)34(60)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)54-28(18-22(3)4)38(64)49-24(6)35(61)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,63)(H,49,64)(H,50,60)(H,51,57)(H,52,61)(H,53,65)(H,54,66)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530134
PNG
(CHEMBL4525309)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-37(63)48-23(5)34(60)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)54-28(18-22(3)4)38(64)49-24(6)35(61)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,63)(H,49,64)(H,50,60)(H,51,57)(H,52,61)(H,53,65)(H,54,66)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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-6


(Homo sapiens (Human))		BDBM50530097
PNG
(CHEMBL4447615)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)54-28(18-22(3)4)37(63)49-23(5)34(60)48-24(6)35(61)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,60)(H,49,63)(H,50,64)(H,51,57)(H,52,66)(H,53,61)(H,54,65)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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))		BDBM50530126
PNG
(CHEMBL4464311)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=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/C39H67N11O10/c1-20(2)15-25-34(56)46-24(11-9-13-42-39(40)41)33(55)43-19-30(51)45-26(18-31(52)53)35(57)48-27(16-21(3)4)37(59)49(8)29(17-22(5)6)38(60)50-14-10-12-28(50)36(58)44-23(7)32(54)47-25/h20-29H,9-19H2,1-8H3,(H,43,55)(H,44,58)(H,45,51)(H,46,56)(H,47,54)(H,48,57)(H,52,53)(H4,40,41,42)/t23-,24-,25-,26-,27-,28-,29+/m0/s1
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n/an/a 15n/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-6


(Homo sapiens (Human))		BDBM50530097
PNG
(CHEMBL4447615)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)54-28(18-22(3)4)37(63)49-23(5)34(60)48-24(6)35(61)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,60)(H,49,63)(H,50,64)(H,51,57)(H,52,66)(H,53,61)(H,54,65)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human integrin alphavbeta6 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))		BDBM50530126
PNG
(CHEMBL4464311)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=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/C39H67N11O10/c1-20(2)15-25-34(56)46-24(11-9-13-42-39(40)41)33(55)43-19-30(51)45-26(18-31(52)53)35(57)48-27(16-21(3)4)37(59)49(8)29(17-22(5)6)38(60)50-14-10-12-28(50)36(58)44-23(7)32(54)47-25/h20-29H,9-19H2,1-8H3,(H,43,55)(H,44,58)(H,45,51)(H,46,56)(H,47,54)(H,48,57)(H,52,53)(H4,40,41,42)/t23-,24-,25-,26-,27-,28-,29+/m0/s1
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n/an/a 15n/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
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