Compile Data Set for Download or QSAR
Found 61 Enz. Inhib. hit(s) with all data for entry = 50039774
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383866(CHEMBL2031174)
Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1
Show InChI InChI=1S/C23H31N5O3/c1-31-21-9-7-18(15-25-21)20(14-22(29)30)28-13-12-27(16-28)11-3-5-19-8-6-17-4-2-10-24-23(17)26-19/h6-9,15,20H,2-5,10-14,16H2,1H3,(H,24,26)(H,29,30)/t20-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383865(CHEMBL2031169)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
Affinity DataIC50: 1nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383862(CHEMBL2031168)
Show SMILES CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12
Show InChI InChI=1S/C26H26Cl2N4O4/c1-32-13-12-29-24-22(32)10-7-17(30-24)11-14-36-18-8-5-16(6-9-18)15-21(26(34)35)31-25(33)23-19(27)3-2-4-20(23)28/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t21-/m0/s1
Affinity DataIC50: 1nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383861(CHEMBL2031160)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22(26(33)34)15-16-6-10-19(11-7-16)35-14-12-18-9-8-17-3-2-13-29-24(17)30-18/h1,4-11,22H,2-3,12-15H2,(H,29,30)(H,31,32)(H,33,34)/t22-/m0/s1
Affinity DataIC50: 1nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383861(CHEMBL2031160)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22(26(33)34)15-16-6-10-19(11-7-16)35-14-12-18-9-8-17-3-2-13-29-24(17)30-18/h1,4-11,22H,2-3,12-15H2,(H,29,30)(H,31,32)(H,33,34)/t22-/m0/s1
Affinity DataIC50: 2nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383863(CHEMBL2031162)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)23(19)25(34)32-21(26(35)36)13-15-6-9-17(10-7-15)30-22(33)14-18-11-8-16-3-2-12-29-24(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 3nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383875(CHEMBL2031172)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2cccc(NCC3CC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H27Cl2N3O4/c28-21-4-2-5-22(29)25(21)26(33)32-23(27(34)35)15-17-9-11-20(12-10-17)36-14-13-19-3-1-6-24(31-19)30-16-18-7-8-18/h1-6,9-12,18,23H,7-8,13-16H2,(H,30,31)(H,32,33)(H,34,35)/t23-/m0/s1
Affinity DataIC50: 3nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383864(CHEMBL2031163)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)22(19)25(34)32-21(26(35)36)13-15-6-8-17(9-7-15)24(33)30-14-18-11-10-16-3-2-12-29-23(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 5nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383786(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
Affinity DataIC50: 7nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383786(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
Affinity DataIC50: 7nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383809(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
Affinity DataIC50: 8nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383871(CHEMBL2031164)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCNc2nc3ccccc3[nH]2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl2N4O4/c26-17-4-3-5-18(27)22(17)23(32)29-21(24(33)34)14-15-8-10-16(11-9-15)35-13-12-28-25-30-19-6-1-2-7-20(19)31-25/h1-11,21H,12-14H2,(H,29,32)(H,33,34)(H2,28,30,31)/t21-/m0/s1
Affinity DataIC50: 8nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383877(CHEMBL2031170)
Show SMILES Nc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C23H21Cl2N3O4/c24-17-4-2-5-18(25)21(17)22(29)28-19(23(30)31)13-14-7-9-16(10-8-14)32-12-11-15-3-1-6-20(26)27-15/h1-10,19H,11-13H2,(H2,26,27)(H,28,29)(H,30,31)/t19-/m0/s1
Affinity DataIC50: 9nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383865(CHEMBL2031169)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
Affinity DataIC50: 10nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383779(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
Affinity DataIC50: 11nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383865(CHEMBL2031169)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
Affinity DataIC50: 17nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383862(CHEMBL2031168)
Show SMILES CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12
Show InChI InChI=1S/C26H26Cl2N4O4/c1-32-13-12-29-24-22(32)10-7-17(30-24)11-14-36-18-8-5-16(6-9-18)15-21(26(34)35)31-25(33)23-19(27)3-2-4-20(23)28/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t21-/m0/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383869(CHEMBL2031158)
Show SMILES OC(=O)[C@H](Cc1ccc(CCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3/c26-19-7-5-8-20(27)23(19)24(31)30-21(25(32)33)16-18-12-10-17(11-13-18)6-1-3-14-28-22-9-2-4-15-29-22/h2,4-5,7-13,15,21H,1,3,6,14,16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 24nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383861(CHEMBL2031160)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22(26(33)34)15-16-6-10-19(11-7-16)35-14-12-18-9-8-17-3-2-13-29-24(17)30-18/h1,4-11,22H,2-3,12-15H2,(H,29,30)(H,31,32)(H,33,34)/t22-/m0/s1
Affinity DataIC50: 29nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of 630 uM human serum albuminMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383809(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
Affinity DataIC50: 46nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383863(CHEMBL2031162)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)23(19)25(34)32-21(26(35)36)13-15-6-9-17(10-7-15)30-22(33)14-18-11-8-16-3-2-12-29-24(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 49nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383867(CHEMBL2031156)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-6-5-7-20(27)23(19)24(31)30-21(25(32)33)16-17-9-11-18(12-10-17)34-15-4-3-14-29-22-8-1-2-13-28-22/h1-2,5-13,21H,3-4,14-16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 54nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383868(CHEMBL2031157)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C#CCCNc1ccccn1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N3O3/c26-19-7-5-8-20(27)23(19)24(31)30-21(25(32)33)16-18-12-10-17(11-13-18)6-1-3-14-28-22-9-2-4-15-29-22/h2,4-5,7-13,15,21H,3,14,16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 69nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383781(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
Affinity DataIC50: 82nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383876(CHEMBL2031173)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H29Cl2N3O4/c29-22-8-4-9-23(30)26(22)27(34)33-24(28(35)36)17-18-11-13-21(14-12-18)37-16-15-20-7-3-10-25(32-20)31-19-5-1-2-6-19/h3-4,7-14,19,24H,1-2,5-6,15-17H2,(H,31,32)(H,33,34)(H,35,36)/t24-/m0/s1
Affinity DataIC50: 83nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383779(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
Affinity DataIC50: 84nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383863(CHEMBL2031162)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)23(19)25(34)32-21(26(35)36)13-15-6-9-17(10-7-15)30-22(33)14-18-11-8-16-3-2-12-29-24(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 84nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383786(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
Affinity DataIC50: 97nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383864(CHEMBL2031163)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)22(19)25(34)32-21(26(35)36)13-15-6-8-17(9-7-15)24(33)30-14-18-11-10-16-3-2-12-29-23(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 120nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383779(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
Affinity DataIC50: 120nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383865(CHEMBL2031169)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1
Affinity DataIC50: 130nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383860(CHEMBL2031171)
Show SMILES CN(C)c1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C25H25Cl2N3O4/c1-30(2)22-8-3-5-17(28-22)13-14-34-18-11-9-16(10-12-18)15-21(25(32)33)29-24(31)23-19(26)6-4-7-20(23)27/h3-12,21H,13-15H2,1-2H3,(H,29,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 140nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383873(CHEMBL2031166)
Show SMILES NC(=O)NCCCOc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C20H21Cl2N3O5/c21-14-3-1-4-15(22)17(14)18(26)25-16(19(27)28)11-12-5-7-13(8-6-12)30-10-2-9-24-20(23)29/h1,3-8,16H,2,9-11H2,(H,25,26)(H,27,28)(H3,23,24,29)/t16-/m0/s1
Affinity DataIC50: 150nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383862(CHEMBL2031168)
Show SMILES CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12
Show InChI InChI=1S/C26H26Cl2N4O4/c1-32-13-12-29-24-22(32)10-7-17(30-24)11-14-36-18-8-5-16(6-9-18)15-21(26(34)35)31-25(33)23-19(27)3-2-4-20(23)28/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t21-/m0/s1
Affinity DataIC50: 150nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383871(CHEMBL2031164)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCNc2nc3ccccc3[nH]2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl2N4O4/c26-17-4-3-5-18(27)22(17)23(32)29-21(24(33)34)14-15-8-10-16(11-9-15)35-13-12-28-25-30-19-6-1-2-7-20(19)31-25/h1-11,21H,12-14H2,(H,29,32)(H,33,34)(H2,28,30,31)/t21-/m0/s1
Affinity DataIC50: 160nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50217434(2S,4R,20S-4-{[2-carboxy-2-(2,4,6-trimethyl-benzoyl...)
Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C(O)=O)c(C)c1
Show InChI InChI=1S/C33H39N5O7/c1-21-13-22(2)30(23(3)14-21)31(40)37-27(32(41)42)17-36-29(39)20-44-26-15-25(16-35-28-11-7-8-12-34-28)38(18-26)33(43)45-19-24-9-5-4-6-10-24/h4-14,25-27H,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)(H,41,42)/t25-,26+,27-/m0/s1
Affinity DataIC50: 200nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383863(CHEMBL2031162)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)23(19)25(34)32-21(26(35)36)13-15-6-9-17(10-7-15)30-22(33)14-18-11-8-16-3-2-12-29-24(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 210nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383870(CHEMBL2031159)
Show SMILES CNc1cccc(COCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-17(28-21)14-33-13-16-10-8-15(9-11-16)12-20(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
Affinity DataIC50: 220nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383876(CHEMBL2031173)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H29Cl2N3O4/c29-22-8-4-9-23(30)26(22)27(34)33-24(28(35)36)17-18-11-13-21(14-12-18)37-16-15-20-7-3-10-25(32-20)31-19-5-1-2-6-19/h3-4,7-14,19,24H,1-2,5-6,15-17H2,(H,31,32)(H,33,34)(H,35,36)/t24-/m0/s1
Affinity DataIC50: 320nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383864(CHEMBL2031163)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)22(19)25(34)32-21(26(35)36)13-15-6-8-17(9-7-15)24(33)30-14-18-11-10-16-3-2-12-29-23(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 350nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383874(CHEMBL2031167)
Show SMILES CN1CC(CCCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)C1
Show InChI InChI=1S/C23H26Cl2N2O4/c1-27-13-16(14-27)4-3-11-31-17-9-7-15(8-10-17)12-20(23(29)30)26-22(28)21-18(24)5-2-6-19(21)25/h2,5-10,16,20H,3-4,11-14H2,1H3,(H,26,28)(H,29,30)/t20-/m0/s1
Affinity DataIC50: 360nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383859(CHEMBL2031161)
Show SMILES OC(=O)[C@H](Cc1ccc(CCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H27Cl2N3O3/c28-21-7-2-8-22(29)24(21)26(33)32-23(27(34)35)16-18-11-9-17(10-12-18)4-1-6-20-14-13-19-5-3-15-30-25(19)31-20/h2,7-14,23H,1,3-6,15-16H2,(H,30,31)(H,32,33)(H,34,35)/t23-/m0/s1
Affinity DataIC50: 450nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of 630 uM human serum albuminMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50217434(2S,4R,20S-4-{[2-carboxy-2-(2,4,6-trimethyl-benzoyl...)
Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C(O)=O)c(C)c1
Show InChI InChI=1S/C33H39N5O7/c1-21-13-22(2)30(23(3)14-21)31(40)37-27(32(41)42)17-36-29(39)20-44-26-15-25(16-35-28-11-7-8-12-34-28)38(18-26)33(43)45-19-24-9-5-4-6-10-24/h4-14,25-27H,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)(H,41,42)/t25-,26+,27-/m0/s1
Affinity DataIC50: 586nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383779(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
Affinity DataIC50: 610nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383867(CHEMBL2031156)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-6-5-7-20(27)23(19)24(31)30-21(25(32)33)16-17-9-11-18(12-10-17)34-15-4-3-14-29-22-8-1-2-13-28-22/h1-2,5-13,21H,3-4,14-16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 710nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383872(CHEMBL2031165)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCNc2nc3ccccc3s2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N3O4S/c26-17-4-3-5-18(27)22(17)23(31)29-20(24(32)33)14-15-8-10-16(11-9-15)34-13-12-28-25-30-19-6-1-2-7-21(19)35-25/h1-11,20H,12-14H2,(H,28,30)(H,29,31)(H,32,33)/t20-/m0/s1
Affinity DataIC50: 970nMAssay Description:Binding affinity to integrin alpha5beta1More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383869(CHEMBL2031158)
Show SMILES OC(=O)[C@H](Cc1ccc(CCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3/c26-19-7-5-8-20(27)23(19)24(31)30-21(25(32)33)16-18-12-10-17(11-13-18)6-1-3-14-28-22-9-2-4-15-29-22/h2,4-5,7-13,15,21H,1,3,6,14,16H2,(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50217434(2S,4R,20S-4-{[2-carboxy-2-(2,4,6-trimethyl-benzoyl...)
Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C(O)=O)c(C)c1
Show InChI InChI=1S/C33H39N5O7/c1-21-13-22(2)30(23(3)14-21)31(40)37-27(32(41)42)17-36-29(39)20-44-26-15-25(16-35-28-11-7-8-12-34-28)38(18-26)33(43)45-19-24-9-5-4-6-10-24/h4-14,25-27H,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)(H,41,42)/t25-,26+,27-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383870(CHEMBL2031159)
Show SMILES CNc1cccc(COCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1
Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-17(28-21)14-33-13-16-10-8-15(9-11-16)12-20(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
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesionMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50383864(CHEMBL2031163)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)22(19)25(34)32-21(26(35)36)13-15-6-8-17(9-7-15)24(33)30-14-18-11-10-16-3-2-12-29-23(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04...More data for this Ligand-Target Pair
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