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PubMed code 11677134

Compile data set for download or QSAR
Found 42 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 alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106090
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((4-methoxy-buty...)
Show SMILES COCCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C34H42N4O8/c1-23-9-5-6-10-27(23)37-34(43)35-26-14-11-24(12-15-26)19-32(40)38(17-7-8-18-44-2)22-31(39)36-28(21-33(41)42)25-13-16-29(45-3)30(20-25)46-4/h5-6,9-16,20,28H,7-8,17-19,21-22H2,1-4H3,(H,36,39)(H,41,42)(H2,35,37,43)/t28-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106091
PNG
((S)-3-Benzo[1,3]dioxol-5-yl-3-((S)-4-methyl-2-{2-[...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N4O7/c1-19(2)14-26(31(40)35-25(17-30(38)39)22-10-13-27-28(16-22)43-18-42-27)34-29(37)15-21-8-11-23(12-9-21)33-32(41)36-24-7-5-4-6-20(24)3/h4-13,16,19,25-26H,14-15,17-18H2,1-3H3,(H,34,37)(H,35,40)(H,38,39)(H2,33,36,41)/t25-,26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106098
PNG
((R)-3-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phe...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@H](CC=C)CC(O)=O
Show InChI InChI=1S/C28H36N4O5/c1-5-8-22(17-26(34)35)29-27(36)24(15-18(2)3)31-25(33)16-20-11-13-21(14-12-20)30-28(37)32-23-10-7-6-9-19(23)4/h5-7,9-14,18,22,24H,1,8,15-17H2,2-4H3,(H,29,36)(H,31,33)(H,34,35)(H2,30,32,37)/t22-,24+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106093
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methyl-butyl...)
Show SMILES COc1ccc(cc1OC)[C@H](CC(O)=O)NC(=O)CN(CCC(C)C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C34H42N4O7/c1-22(2)16-17-38(21-31(39)36-28(20-33(41)42)25-12-15-29(44-4)30(19-25)45-5)32(40)18-24-10-13-26(14-11-24)35-34(43)37-27-9-7-6-8-23(27)3/h6-15,19,22,28H,16-18,20-21H2,1-5H3,(H,36,39)(H,41,42)(H2,35,37,43)/t28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106099
PNG
(CHEMBL321739 | Lithium; (S)-3-[2-((3-methyl-butyl)...)
Show SMILES CC(C)CCN(CC(=O)N[C@@H](CC([O-])=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O5/c1-22(2)17-18-36(21-29(37)34-28(20-31(39)40)25-10-5-4-6-11-25)30(38)19-24-13-15-26(16-14-24)33-32(41)35-27-12-8-7-9-23(27)3/h4-16,22,28H,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/p-1/t28-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106102
PNG
((E)-(S)-3-[2-((3-Methyl-butyl)-{2-[4-(3-o-tolyl-ur...)
Show SMILES C\C=C\[C@H](CC(O)=O)NC(=O)CN(CCC(C)C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C29H38N4O5/c1-5-8-24(18-28(36)37)30-26(34)19-33(16-15-20(2)3)27(35)17-22-11-13-23(14-12-22)31-29(38)32-25-10-7-6-9-21(25)4/h5-14,20,24H,15-19H2,1-4H3,(H,30,34)(H,36,37)(H2,31,32,38)/b8-5+/t24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106097
PNG
(3-{[2-((3-Methyl-butyl)-{2-[4-(3-o-tolyl-ureido)-p...)
Show SMILES CC(C)CCN(CC(=O)N(CCC(O)=O)CCc1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C34H42N4O5/c1-25(2)17-20-38(24-32(40)37(22-19-33(41)42)21-18-27-10-5-4-6-11-27)31(39)23-28-13-15-29(16-14-28)35-34(43)36-30-12-8-7-9-26(30)3/h4-16,25H,17-24H2,1-3H3,(H,41,42)(H2,35,36,43)
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n/an/a 98n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106087
PNG
(1,3-Diphenyl-urea derivative | CHEMBL98307)
Show SMILES CC(C)CN(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NC(CC([O-])=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-20(2)19-35(30(40)33-26(18-28(37)38)23-10-5-4-6-11-23)34-27(36)17-22-13-15-24(16-14-22)31-29(39)32-25-12-8-7-9-21(25)3/h4-16,20,26H,17-19H2,1-3H3,(H,33,40)(H,34,36)(H,37,38)(H2,31,32,39)/p-1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106094
PNG
(1,3-Diphenyl-urea derivative | CHEMBL98793)
Show SMILES CC(C)CN(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NC(CC=C)CC([O-])=O
Show InChI InChI=1S/C27H35N5O5/c1-5-8-22(16-25(34)35)29-27(37)32(17-18(2)3)31-24(33)15-20-11-13-21(14-12-20)28-26(36)30-23-10-7-6-9-19(23)4/h5-7,9-14,18,22H,1,8,15-17H2,2-4H3,(H,29,37)(H,31,33)(H,34,35)(H2,28,30,36)/p-1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a 6.14E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106088
PNG
(CHEMBL99888 | Lithium; (R)-((S)-5-methyl-3-{2-[4-(...)
Show SMILES CC(C)C[C@@H](CC(=O)N[C@@H](C([O-])=O)c1ccccc1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O5/c1-20(2)17-25(19-28(37)35-29(30(38)39)23-10-5-4-6-11-23)32-27(36)18-22-13-15-24(16-14-22)33-31(40)34-26-12-8-7-9-21(26)3/h4-16,20,25,29H,17-19H2,1-3H3,(H,32,36)(H,35,37)(H,38,39)(H2,33,34,40)/p-1/t25-,29+/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106095
PNG
((S)-3-((S)-5-Methyl-3-{2-[4-(3-o-tolyl-ureido)-phe...)
Show SMILES CC(C)C[C@@H](CC(=O)N[C@@H](CC(O)=O)c1ccccc1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O5/c1-21(2)17-26(19-30(38)35-28(20-31(39)40)24-10-5-4-6-11-24)33-29(37)18-23-13-15-25(16-14-23)34-32(41)36-27-12-8-7-9-22(27)3/h4-16,21,26,28H,17-20H2,1-3H3,(H,33,37)(H,35,38)(H,39,40)(H2,34,36,41)/t26-,28-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106084
PNG
(CHEMBL103417 | [N-Allyl-N'-((R)-4-methyl-2-{2-[4-(...)
Show SMILES CC(C)C[C@@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NN(CC=C)CC(O)=O
Show InChI InChI=1S/C27H35N5O5/c1-5-14-32(17-25(34)35)31-26(36)23(15-18(2)3)29-24(33)16-20-10-12-21(13-11-20)28-27(37)30-22-9-7-6-8-19(22)4/h5-13,18,23H,1,14-17H2,2-4H3,(H,29,33)(H,31,36)(H,34,35)(H2,28,30,37)/t23-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106096
PNG
(3-[((R)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N(CCC(O)=O)CCc1ccccc1
Show InChI InChI=1S/C33H40N4O5/c1-23(2)21-29(32(41)37(20-18-31(39)40)19-17-25-10-5-4-6-11-25)35-30(38)22-26-13-15-27(16-14-26)34-33(42)36-28-12-8-7-9-24(28)3/h4-16,23,29H,17-22H2,1-3H3,(H,35,38)(H,39,40)(H2,34,36,42)/t29-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106089
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES CCOC(=O)C[C@H](NC(=O)CN(CCCOC)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C34H42N4O7/c1-5-45-33(41)22-30(26-13-17-28(44-4)18-14-26)36-31(39)23-38(19-8-20-43-3)32(40)21-25-11-15-27(16-12-25)35-34(42)37-29-10-7-6-9-24(29)2/h6-7,9-18,30H,5,8,19-23H2,1-4H3,(H,36,39)(H2,35,37,42)/t30-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106103
PNG
((E)-(R)-3-((R)-5-Methyl-3-{2-[4-(3-o-tolyl-ureido)...)
Show SMILES C\C=C\[C@@H](CC(O)=O)NC(=O)C[C@@H](CC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C29H38N4O5/c1-5-8-23(18-28(36)37)30-27(35)17-24(15-19(2)3)31-26(34)16-21-11-13-22(14-12-21)32-29(38)33-25-10-7-6-9-20(25)4/h5-14,19,23-24H,15-18H2,1-4H3,(H,30,35)(H,31,34)(H,36,37)(H2,32,33,38)/b8-5+/t23-,24+/m0/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106100
PNG
(CHEMBL98701 | [Benzyl-((S)-5-methyl-3-{2-[4-(3-o-t...)
Show SMILES CC(C)C[C@@H](CC(=O)N(CC(O)=O)Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O5/c1-22(2)17-27(19-30(38)36(21-31(39)40)20-25-10-5-4-6-11-25)33-29(37)18-24-13-15-26(16-14-24)34-32(41)35-28-12-8-7-9-23(28)3/h4-16,22,27H,17-21H2,1-3H3,(H,33,37)(H,39,40)(H2,34,35,41)/t27-/m0/s1
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n/an/a 2.47E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106092
PNG
((S)-3-((R)-5-Methyl-3-{2-[4-(3-o-tolyl-ureido)-phe...)
Show SMILES CC(C)C[C@H](CC(=O)N[C@@H](CC(O)=O)c1ccccc1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O5/c1-21(2)17-26(19-30(38)35-28(20-31(39)40)24-10-5-4-6-11-24)33-29(37)18-23-13-15-25(16-14-23)34-32(41)36-27-12-8-7-9-22(27)3/h4-16,21,26,28H,17-20H2,1-3H3,(H,33,37)(H,35,38)(H,39,40)(H2,34,36,41)/t26-,28+/m1/s1
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n/an/a 2.62E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50106085
PNG
((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50106082
PNG
((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50106101
PNG
(1,3-Diphenyl-urea derivative | CHEMBL100886)
Show SMILES CC(C)C(NC(=O)N(Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C([O-])=O
Show InChI InChI=1S/C29H33N5O5/c1-19(2)26(27(36)37)32-29(39)34(18-22-10-5-4-6-11-22)33-25(35)17-21-13-15-23(16-14-21)30-28(38)31-24-12-8-7-9-20(24)3/h4-16,19,26H,17-18H2,1-3H3,(H,32,39)(H,33,35)(H,36,37)(H2,30,31,38)/p-1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50106083
PNG
((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%