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PubMed code 22572578

Compile data set for download or QSAR
Found 124 hits of Enzyme Inhibition Constant Data   
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 beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50134778
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)
Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O
Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383787
PNG
(CHEMBL2030806)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383801
PNG
(CHEMBL2030968)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383799
PNG
(CHEMBL2030805)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383784
PNG
(CHEMBL2030810)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383793
PNG
(CHEMBL2030799)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383802
PNG
(CHEMBL2030964)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-6-14(27-20)5-2-7-15-11-12-16(32-15)13-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,6,8-12,19H,2,5,7,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383803
PNG
(CHEMBL2030961)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1
Show InChI InChI=1S/C24H22Cl2FN3O4/c1-28-21-7-2-4-15(29-21)10-11-34-20-9-8-14(12-18(20)27)13-19(24(32)33)30-23(31)22-16(25)5-3-6-17(22)26/h2-9,12,19H,10-11,13H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383794
PNG
(CHEMBL2030798)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383788
PNG
(CHEMBL2030804)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383804
PNG
(CHEMBL2030960)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C25H25Cl2N3O4/c1-15-13-16(9-10-21(15)34-12-11-17-5-3-8-22(28-2)29-17)14-20(25(32)33)30-24(31)23-18(26)6-4-7-19(23)27/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383789
PNG
(CHEMBL2030803)
Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383806
PNG
(CHEMBL2030969)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C24H24Cl2N4O3/c1-27-21-10-3-7-17(29-21)6-2-5-16-12-11-15(14-28-16)13-20(24(32)33)30-23(31)22-18(25)8-4-9-19(22)26/h3-4,7-12,14,20H,2,5-6,13H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383782
PNG
(CHEMBL2030812)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383800
PNG
(CHEMBL2030970)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-19-7-2-4-15(28-19)10-11-33-20-9-8-14(13-27-20)12-18(23(31)32)29-22(30)21-16(24)5-3-6-17(21)25/h2-9,13,18H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383786
PNG
(CHEMBL2030807)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383783
PNG
(CHEMBL2030811)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383809
PNG
(CHEMBL2030963)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H25Cl2N3O3/c1-28-22-10-3-7-18(29-22)6-2-5-16-11-13-17(14-12-16)15-21(25(32)33)30-24(31)23-19(26)8-4-9-20(23)27/h3-4,7-14,21H,2,5-6,15H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383797
PNG
(CHEMBL2030967)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C24H24Cl2N4O3/c1-27-21-10-3-7-16(29-21)6-2-5-15-11-12-17(28-14-15)13-20(24(32)33)30-23(31)22-18(25)8-4-9-19(22)26/h3-4,7-12,14,20H,2,5-6,13H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383790
PNG
(CHEMBL2030802)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O4/c1-16-14-18(26)8-11-21(16)24(30)29-22(25(31)32)15-17-6-9-20(10-7-17)33-13-12-19-4-3-5-23(27-2)28-19/h3-11,14,22H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383779
PNG
(CHEMBL2030815)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-5-3-6-19(26)22(18)23(30)29-20(24(31)32)15-16-8-10-17(11-9-16)33-14-4-13-28-21-7-1-2-12-27-21/h1-3,5-12,20H,4,13-15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383785
PNG
(CHEMBL2030809)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C22H22ClN3O4S/c1-24-19-4-2-3-15(25-19)9-11-30-16-7-5-14(6-8-16)13-18(22(28)29)26-21(27)20-17(23)10-12-31-20/h2-8,10,12,18H,9,11,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383792
PNG
(CHEMBL2030800)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383796
PNG
(CHEMBL2030962)
Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383787
PNG
(CHEMBL2030806)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383789
PNG
(CHEMBL2030803)
Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383801
PNG
(CHEMBL2030968)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383802
PNG
(CHEMBL2030964)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-6-14(27-20)5-2-7-15-11-12-16(32-15)13-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,6,8-12,19H,2,5,7,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383793
PNG
(CHEMBL2030799)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383790
PNG
(CHEMBL2030802)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O4/c1-16-14-18(26)8-11-21(16)24(30)29-22(25(31)32)15-17-6-9-20(10-7-17)33-13-12-19-4-3-5-23(27-2)28-19/h3-11,14,22H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383782
PNG
(CHEMBL2030812)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383788
PNG
(CHEMBL2030804)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383794
PNG
(CHEMBL2030798)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383809
PNG
(CHEMBL2030963)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H25Cl2N3O3/c1-28-22-10-3-7-18(29-22)6-2-5-16-11-13-17(14-12-16)15-21(25(32)33)30-24(31)23-19(26)8-4-9-20(23)27/h3-4,7-14,21H,2,5-6,15H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383803
PNG
(CHEMBL2030961)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1
Show InChI InChI=1S/C24H22Cl2FN3O4/c1-28-21-7-2-4-15(29-21)10-11-34-20-9-8-14(12-18(20)27)13-19(24(32)33)30-23(31)22-16(25)5-3-6-17(22)26/h2-9,12,19H,10-11,13H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383795
PNG
(CHEMBL2030797)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383805
PNG
(CHEMBL2030808)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cncc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-4-2-3-15(28-20)9-10-33-16-7-5-14(6-8-16)11-19(23(31)32)29-22(30)21-17(24)12-27-13-18(21)25/h2-8,12-13,19H,9-11H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383785
PNG
(CHEMBL2030809)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C22H22ClN3O4S/c1-24-19-4-2-3-15(25-19)9-11-30-16-7-5-14(6-8-16)13-18(22(28)29)26-21(27)20-17(23)10-12-31-20/h2-8,10,12,18H,9,11,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t18-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383805
PNG
(CHEMBL2030808)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cncc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-4-2-3-15(28-20)9-10-33-16-7-5-14(6-8-16)11-19(23(31)32)29-22(30)21-17(24)12-27-13-18(21)25/h2-8,12-13,19H,9-11H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383787
PNG
(CHEMBL2030806)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383783
PNG
(CHEMBL2030811)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383806
PNG
(CHEMBL2030969)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C24H24Cl2N4O3/c1-27-21-10-3-7-17(29-21)6-2-5-16-12-11-15(14-28-16)13-20(24(32)33)30-23(31)22-18(25)8-4-9-19(22)26/h3-4,7-12,14,20H,2,5-6,13H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383803
PNG
(CHEMBL2030961)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1
Show InChI InChI=1S/C24H22Cl2FN3O4/c1-28-21-7-2-4-15(29-21)10-11-34-20-9-8-14(12-18(20)27)13-19(24(32)33)30-23(31)22-16(25)5-3-6-17(22)26/h2-9,12,19H,10-11,13H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t19-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383804
PNG
(CHEMBL2030960)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C25H25Cl2N3O4/c1-15-13-16(9-10-21(15)34-12-11-17-5-3-8-22(28-2)29-17)14-20(25(32)33)30-24(31)23-18(26)6-4-7-19(23)27/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383781
PNG
(CHEMBL2030813)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c24-17-4-3-5-18(25)21(17)22(29)28-19(23(30)31)14-15-7-9-16(10-8-15)32-13-12-27-20-6-1-2-11-26-20/h1-11,19H,12-14H2,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383801
PNG
(CHEMBL2030968)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383799
PNG
(CHEMBL2030805)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383786
PNG
(CHEMBL2030807)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383807
PNG
(CHEMBL2030966)
Show SMILES CNc1cccc(CCOc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1
Show InChI InChI=1S/C22H21Cl2N3O4S/c1-25-19-7-2-4-13(26-19)8-9-31-14-10-15(32-12-14)11-18(22(29)30)27-21(28)20-16(23)5-3-6-17(20)24/h2-7,10,12,18H,8-9,11H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383800
PNG
(CHEMBL2030970)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-19-7-2-4-15(28-19)10-11-33-20-9-8-14(13-27-20)12-18(23(31)32)29-22(30)21-16(24)5-3-6-17(21)25/h2-9,13,18H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383797
PNG
(CHEMBL2030967)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C24H24Cl2N4O3/c1-27-21-10-3-7-16(29-21)6-2-5-15-11-12-17(28-14-15)13-20(24(32)33)30-23(31)22-18(25)8-4-9-19(22)26/h3-4,7-12,14,20H,2,5-6,13H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383779
PNG
(CHEMBL2030815)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-5-3-6-19(26)22(18)23(30)29-20(24(31)32)15-16-8-10-17(11-9-16)33-14-4-13-28-21-7-1-2-12-27-21/h1-3,5-12,20H,4,13-15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383791
PNG
(CHEMBL2030801)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O5/c1-27-23-5-3-4-18(28-23)12-13-34-19-9-6-16(7-10-19)14-21(25(31)32)29-24(30)20-11-8-17(26)15-22(20)33-2/h3-11,15,21H,12-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383784
PNG
(CHEMBL2030810)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383805
PNG
(CHEMBL2030808)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cncc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-4-2-3-15(28-20)9-10-33-16-7-5-14(6-8-16)11-19(23(31)32)29-22(30)21-17(24)12-27-13-18(21)25/h2-8,12-13,19H,9-11H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383792
PNG
(CHEMBL2030800)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383786
PNG
(CHEMBL2030807)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383802
PNG
(CHEMBL2030964)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-6-14(27-20)5-2-7-15-11-12-16(32-15)13-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,6,8-12,19H,2,5,7,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383804
PNG
(CHEMBL2030960)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C25H25Cl2N3O4/c1-15-13-16(9-10-21(15)34-12-11-17-5-3-8-22(28-2)29-17)14-20(25(32)33)30-24(31)23-18(26)6-4-7-19(23)27/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383808
PNG
(CHEMBL2030965)
Show SMILES CNc1cccc(CCCc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-7-15(27-20)6-2-5-14-11-16(32-13-14)12-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,7-11,13,19H,2,5-6,12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383789
PNG
(CHEMBL2030803)
Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383784
PNG
(CHEMBL2030810)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383793
PNG
(CHEMBL2030799)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383786
PNG
(CHEMBL2030807)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383794
PNG
(CHEMBL2030798)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383788
PNG
(CHEMBL2030804)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383792
PNG
(CHEMBL2030800)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383803
PNG
(CHEMBL2030961)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1
Show InChI InChI=1S/C24H22Cl2FN3O4/c1-28-21-7-2-4-15(29-21)10-11-34-20-9-8-14(12-18(20)27)13-19(24(32)33)30-23(31)22-16(25)5-3-6-17(22)26/h2-9,12,19H,10-11,13H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383789
PNG
(CHEMBL2030803)
Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383787
PNG
(CHEMBL2030806)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383808
PNG
(CHEMBL2030965)
Show SMILES CNc1cccc(CCCc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-7-15(27-20)6-2-5-14-11-16(32-13-14)12-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,7-11,13,19H,2,5-6,12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383799
PNG
(CHEMBL2030805)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383799
PNG
(CHEMBL2030805)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383783
PNG
(CHEMBL2030811)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383795
PNG
(CHEMBL2030797)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383793
PNG
(CHEMBL2030799)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383790
PNG
(CHEMBL2030802)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O4/c1-16-14-18(26)8-11-21(16)24(30)29-22(25(31)32)15-17-6-9-20(10-7-17)33-13-12-19-4-3-5-23(27-2)28-19/h3-11,14,22H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383798
PNG
(CHEMBL2030957)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-8-4-9-19(26)22(18)23(30)29-20(24(31)32)15-16-6-3-7-17(14-16)33-13-5-12-28-21-10-1-2-11-27-21/h1-4,6-11,14,20H,5,12-13,15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383782
PNG
(CHEMBL2030812)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383807
PNG
(CHEMBL2030966)
Show SMILES CNc1cccc(CCOc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1
Show InChI InChI=1S/C22H21Cl2N3O4S/c1-25-19-7-2-4-13(26-19)8-9-31-14-10-15(32-12-14)11-18(22(29)30)27-21(28)20-16(23)5-3-6-17(20)24/h2-7,10,12,18H,8-9,11H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383790
PNG
(CHEMBL2030802)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O4/c1-16-14-18(26)8-11-21(16)24(30)29-22(25(31)32)15-17-6-9-20(10-7-17)33-13-12-19-4-3-5-23(27-2)28-19/h3-11,14,22H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383794
PNG
(CHEMBL2030798)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383788
PNG
(CHEMBL2030804)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383800
PNG
(CHEMBL2030970)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-19-7-2-4-15(28-19)10-11-33-20-9-8-14(13-27-20)12-18(23(31)32)29-22(30)21-16(24)5-3-6-17(21)25/h2-9,13,18H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383804
PNG
(CHEMBL2030960)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C25H25Cl2N3O4/c1-15-13-16(9-10-21(15)34-12-11-17-5-3-8-22(28-2)29-17)14-20(25(32)33)30-24(31)23-18(26)6-4-7-19(23)27/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383779
PNG
(CHEMBL2030815)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-5-3-6-19(26)22(18)23(30)29-20(24(31)32)15-16-8-10-17(11-9-16)33-14-4-13-28-21-7-1-2-12-27-21/h1-3,5-12,20H,4,13-15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383796
PNG
(CHEMBL2030962)
Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383801
PNG
(CHEMBL2030968)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383802
PNG
(CHEMBL2030964)
Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1
Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-6-14(27-20)5-2-7-15-11-12-16(32-15)13-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,6,8-12,19H,2,5,7,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383791
PNG
(CHEMBL2030801)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O5/c1-27-23-5-3-4-18(28-23)12-13-34-19-9-6-16(7-10-19)14-21(25(31)32)29-24(30)20-11-8-17(26)15-22(20)33-2/h3-11,15,21H,12-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383782
PNG
(CHEMBL2030812)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383810
PNG
(CHEMBL2030959)
Show SMILES OC(=O)[C@H](Cc1ccc2oc(CCNc3ccccn3)cc2c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N3O4/c26-18-4-3-5-19(27)23(18)24(31)30-20(25(32)33)13-15-7-8-21-16(12-15)14-17(34-21)9-11-29-22-6-1-2-10-28-22/h1-8,10,12,14,20H,9,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383783
PNG
(CHEMBL2030811)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383784
PNG
(CHEMBL2030810)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383800
PNG
(CHEMBL2030970)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1
Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-19-7-2-4-15(28-19)10-11-33-20-9-8-14(13-27-20)12-18(23(31)32)29-22(30)21-16(24)5-3-6-17(21)25/h2-9,13,18H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t18-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383787
PNG
(CHEMBL2030806)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383792
PNG
(CHEMBL2030800)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383811
PNG
(CHEMBL2030958)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-9-6-10-20(27)23(19)24(31)30-21(25(32)33)16-17-7-5-8-18(15-17)34-14-4-3-13-29-22-11-1-2-12-28-22/h1-2,5-12,15,21H,3-4,13-14,16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50134778
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)
Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O
Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383781
PNG
(CHEMBL2030813)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c24-17-4-3-5-18(25)21(17)22(29)28-19(23(30)31)14-15-7-9-16(10-8-15)32-13-12-27-20-6-1-2-11-26-20/h1-11,19H,12-14H2,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383779
PNG
(CHEMBL2030815)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-5-3-6-19(26)22(18)23(30)29-20(24(31)32)15-16-8-10-17(11-9-16)33-14-4-13-28-21-7-1-2-12-27-21/h1-3,5-12,20H,4,13-15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383785
PNG
(CHEMBL2030809)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C22H22ClN3O4S/c1-24-19-4-2-3-15(25-19)9-11-30-16-7-5-14(6-8-16)13-18(22(28)29)26-21(27)20-17(23)10-12-31-20/h2-8,10,12,18H,9,11,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t18-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383785
PNG
(CHEMBL2030809)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C22H22ClN3O4S/c1-24-19-4-2-3-15(25-19)9-11-30-16-7-5-14(6-8-16)13-18(22(28)29)26-21(27)20-17(23)10-12-31-20/h2-8,10,12,18H,9,11,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383810
PNG
(CHEMBL2030959)
Show SMILES OC(=O)[C@H](Cc1ccc2oc(CCNc3ccccn3)cc2c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N3O4/c26-18-4-3-5-19(27)23(18)24(31)30-20(25(32)33)13-15-7-8-21-16(12-15)14-17(34-21)9-11-29-22-6-1-2-10-28-22/h1-8,10,12,14,20H,9,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50134778
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)
Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O
Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383789
PNG
(CHEMBL2030803)
Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383795
PNG
(CHEMBL2030797)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383796
PNG
(CHEMBL2030962)
Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383780
PNG
(CHEMBL2030814)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c24-17-7-4-8-18(25)21(17)22(29)28-19(23(30)31)14-15-5-3-6-16(13-15)32-12-11-27-20-9-1-2-10-26-20/h1-10,13,19H,11-12,14H2,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383791
PNG
(CHEMBL2030801)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O5/c1-27-23-5-3-4-18(28-23)12-13-34-19-9-6-16(7-10-19)14-21(25(31)32)29-24(30)20-11-8-17(26)15-22(20)33-2/h3-11,15,21H,12-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383795
PNG
(CHEMBL2030797)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383782
PNG
(CHEMBL2030812)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383788
PNG
(CHEMBL2030804)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1
Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383791
PNG
(CHEMBL2030801)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O5/c1-27-23-5-3-4-18(28-23)12-13-34-19-9-6-16(7-10-19)14-21(25(31)32)29-24(30)20-11-8-17(26)15-22(20)33-2/h3-11,15,21H,12-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50383796
PNG
(CHEMBL2030962)
Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383793
PNG
(CHEMBL2030799)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383798
PNG
(CHEMBL2030957)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H23Cl2N3O4/c25-18-8-4-9-19(26)22(18)23(30)29-20(24(31)32)15-16-6-3-7-17(14-16)33-13-5-12-28-21-10-1-2-11-27-21/h1-4,6-11,14,20H,5,12-13,15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383790
PNG
(CHEMBL2030802)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O4/c1-16-14-18(26)8-11-21(16)24(30)29-22(25(31)32)15-17-6-9-20(10-7-17)33-13-12-19-4-3-5-23(27-2)28-19/h3-11,14,22H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383794
PNG
(CHEMBL2030798)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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n/an/a>2.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383783
PNG
(CHEMBL2030811)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383785
PNG
(CHEMBL2030809)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C22H22ClN3O4S/c1-24-19-4-2-3-15(25-19)9-11-30-16-7-5-14(6-8-16)13-18(22(28)29)26-21(27)20-17(23)10-12-31-20/h2-8,10,12,18H,9,11,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t18-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383811
PNG
(CHEMBL2030958)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-9-6-10-20(27)23(19)24(31)30-21(25(32)33)16-17-7-5-8-18(15-17)34-14-4-3-13-29-22-11-1-2-12-28-22/h1-2,5-12,15,21H,3-4,13-14,16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383791
PNG
(CHEMBL2030801)
Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H26FN3O5/c1-27-23-5-3-4-18(28-23)12-13-34-19-9-6-16(7-10-19)14-21(25(31)32)29-24(30)20-11-8-17(26)15-22(20)33-2/h3-11,15,21H,12-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50383780
PNG
(CHEMBL2030814)
Show SMILES OC(=O)[C@H](Cc1cccc(OCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c24-17-7-4-8-18(25)21(17)22(29)28-19(23(30)31)14-15-5-3-6-16(13-15)32-12-11-27-20-9-1-2-10-26-20/h1-10,13,19H,11-12,14H2,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
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n/an/a>2.90E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion


Bioorg Med Chem Lett 22: 4117-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%