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Compile Data Set for Download or QSAR

Found 53 hits of ec50 for UniProtKB: P06756   
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-6


(Homo sapiens (Human))
BDBM50464108
PNG
(CHEMBL4241824)
Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1
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n/an/an/an/a 0.158n/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Induction of integrin alphaVbeta6 receptor internalization in human primary human lung epithelial cells


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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50332898
PNG
(2-(benzo[d]thiazol-2-yl)-5-((4-chlorophenylthio)me...)
Show SMILES Clc1ccc(SCc2[nH]n(-c3nc4ccccc4s3)c(=O)c2C=NCc2ccco2)cc1 |w:22.24|
Show InChI InChI=1S/C23H17ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,27H,12,14H2
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n/an/an/an/a 1.30n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50332896
PNG
(CHEMBL1630982 | rac-N-(benzo[d][1,3]dioxol-5-ylmet...)
Show SMILES O=C(NCc1ccc2OCOc2c1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C26H23N3O5S/c30-26(28-16-19-11-12-22-23(15-19)34-17-33-22)21(14-18-6-2-1-3-7-18)29-35(31,32)24-10-4-8-20-9-5-13-27-25(20)24/h1-13,15,21,29H,14,16-17H2,(H,28,30)
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n/an/an/an/a 1.60n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50332897
PNG
(CHEMBL1631618 | rac-2-(benzo[c][1,2,5]thiadiazole-...)
Show SMILES O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C20H18N4O3S3/c25-20(21-13-15-7-4-10-28-15)19(11-14-5-2-1-3-6-14)24-30(26,27)16-8-9-17-18(12-16)23-29-22-17/h1-10,12,19,24H,11,13H2,(H,21,25)
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n/an/an/an/a 2.5n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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n/an/an/an/a 5.10n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a 11n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505774
PNG
(CHEMBL4469125)
Show SMILES Cc1ccccc1NC(=O)NCCC(O)=O
Show InChI InChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
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n/an/an/an/a 30n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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n/an/an/an/a 55n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505770
PNG
(CHEMBL4446073)
Show SMILES OC(=O)\C=C1\CC(=O)N1
Show InChI InChI=1S/C5H5NO3/c7-4-1-3(6-4)2-5(8)9/h2H,1H2,(H,6,7)(H,8,9)/b3-2-
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n/an/an/an/a 76n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505776
PNG
(CHEMBL4454796)
Show SMILES Cc1ccccc1NC(=O)NCC(O)=O
Show InChI InChI=1S/C10H12N2O3/c1-7-4-2-3-5-8(7)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)
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n/an/an/an/a 85n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505770
PNG
(CHEMBL4446073)
Show SMILES OC(=O)\C=C1\CC(=O)N1
Show InChI InChI=1S/C5H5NO3/c7-4-1-3(6-4)2-5(8)9/h2H,1H2,(H,6,7)(H,8,9)/b3-2-
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n/an/an/an/a 154n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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n/an/an/an/a 167n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50550225
PNG
(CHEMBL4764510)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O
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n/an/an/an/a 187n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505776
PNG
(CHEMBL4454796)
Show SMILES Cc1ccccc1NC(=O)NCC(O)=O
Show InChI InChI=1S/C10H12N2O3/c1-7-4-2-3-5-8(7)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)
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n/an/an/an/a 299n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50505779
PNG
(CHEMBL4461771)
Show SMILES OC(=O)CC1CC(=O)N1
Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
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n/an/an/an/a 376n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a 505n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550225
PNG
(CHEMBL4764510)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O
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n/an/an/an/a 670n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505774
PNG
(CHEMBL4469125)
Show SMILES Cc1ccccc1NC(=O)NCCC(O)=O
Show InChI InChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
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n/an/an/an/a 984n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505775
PNG
(CHEMBL4442651)
Show SMILES Cc1ccccc1NC(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)14-13(18)15-8-4-7-11(15)12(16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1
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n/an/an/an/a 2.88E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50505782
PNG
(CHEMBL4586928)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O
Show InChI InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50505772
PNG
(CHEMBL4589062)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O
Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550228
PNG
(CHEMBL4743438)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r|
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50505781
PNG
(CHEMBL4461668)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(O)=O |r|
Show InChI InChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)13-12(18)14-9(11(16)17)6-10(14)15/h2-5,9H,6H2,1H3,(H,13,18)(H,16,17)/t9-/m0/s1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550227
PNG
(CHEMBL4755971)
Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550224
PNG
(CHEMBL4797755)
Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550226
PNG
(CHEMBL4782288)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550223
PNG
(CHEMBL4794300)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(O)=O)CC2=O)cc1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50550222
PNG
(CHEMBL4777693)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50222360
PNG
(Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,16-,17-/m0/s1
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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505782
PNG
(CHEMBL4586928)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O
Show InChI InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50505772
PNG
(CHEMBL4589062)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O
Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50550227
PNG
(CHEMBL4755971)
Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50550224
PNG
(CHEMBL4797755)
Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50550226
PNG
(CHEMBL4782288)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50550222
PNG
(CHEMBL4777693)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
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TBA

Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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Assay Description
Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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TBA

Assay Description
Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550222
PNG
(CHEMBL4777693)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550223
PNG
(CHEMBL4794300)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(O)=O)CC2=O)cc1
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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550226
PNG
(CHEMBL4782288)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
PDB

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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550224
PNG
(CHEMBL4797755)
Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
PDB

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TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50505779
PNG
(CHEMBL4461771)
Show SMILES OC(=O)CC1CC(=O)N1
Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550227
PNG
(CHEMBL4755971)
Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50505781
PNG
(CHEMBL4461668)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(O)=O |r|
Show InChI InChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)13-12(18)14-9(11(16)17)6-10(14)15/h2-5,9H,6H2,1H3,(H,13,18)(H,16,17)/t9-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
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UniChem
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50550228
PNG
(CHEMBL4743438)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
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UniChem
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM50505772
PNG
(CHEMBL4589062)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O
Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronecti...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
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