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Compile Data Set for Download or QSAR

Found 1854 hits Enz. Inhib. hit(s) with Target = 'Fibronectin receptor beta/Integrin alpha-4'   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
CEMD9 cell adhesion via integrin alpha4-beta1 to VCAM1


Bioorg Med Chem Lett 14: 657-61 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.045
BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373000
PNG
(CHEMBL266525)
Show SMILES Cc1nccn1-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C25H21Cl2N5O4/c1-14-28-10-11-32(14)20-13-29-31(2)24(34)21(20)16-8-6-15(7-9-16)12-19(25(35)36)30-23(33)22-17(26)4-3-5-18(22)27/h3-11,13,19H,12H2,1-2H3,(H,30,33)(H,35,36)/t19-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373001
PNG
(CHEMBL404318)
Show SMILES Cn1ncc(-c2cccc(c2)C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H20Cl2F3N3O4/c1-36-26(38)23(19(14-34-36)17-4-2-5-18(13-17)28(31,32)33)16-10-8-15(9-11-16)12-22(27(39)40)35-25(37)24-20(29)6-3-7-21(24)30/h2-11,13-14,22H,12H2,1H3,(H,35,37)(H,39,40)/t22-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372985
PNG
(CHEMBL272965)
Show SMILES Cn1ncc(-c2ccsc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C25H19Cl2N3O4S/c1-30-24(32)21(17(12-28-30)16-9-10-35-13-16)15-7-5-14(6-8-15)11-20(25(33)34)29-23(31)22-18(26)3-2-4-19(22)27/h2-10,12-13,20H,11H2,1H3,(H,29,31)(H,33,34)/t20-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373003
PNG
(CHEMBL257002)
Show SMILES Cn1ncc(-c2cccc(OC(F)(F)F)c2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H20Cl2F3N3O5/c1-36-26(38)23(19(14-34-36)17-4-2-5-18(13-17)41-28(31,32)33)16-10-8-15(9-11-16)12-22(27(39)40)35-25(37)24-20(29)6-3-7-21(24)30/h2-11,13-14,22H,12H2,1H3,(H,35,37)(H,39,40)/t22-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372986
PNG
(CHEMBL256237)
Show SMILES COc1ccc(cc1)-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C28H23Cl2N3O5/c1-33-27(35)24(20(15-31-33)17-10-12-19(38-2)13-11-17)18-8-6-16(7-9-18)14-23(28(36)37)32-26(34)25-21(29)4-3-5-22(25)30/h3-13,15,23H,14H2,1-2H3,(H,32,34)(H,36,37)/t23-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373005
PNG
(CHEMBL402278)
Show SMILES Cn1ncc(-c2ccc(cc2)C#N)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H20Cl2N4O4/c1-34-27(36)24(20(15-32-34)18-9-7-17(14-31)8-10-18)19-11-5-16(6-12-19)13-23(28(37)38)33-26(35)25-21(29)3-2-4-22(25)30/h2-12,15,23H,13H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373006
PNG
(CHEMBL273183)
Show SMILES Cn1ncc(-c2ccc(cc2)C(N)=O)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H22Cl2N4O5/c1-34-27(37)23(19(14-32-34)16-9-11-18(12-10-16)25(31)35)17-7-5-15(6-8-17)13-22(28(38)39)33-26(36)24-20(29)3-2-4-21(24)30/h2-12,14,22H,13H2,1H3,(H2,31,35)(H,33,36)(H,38,39)/t22-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372991
PNG
(CHEMBL256664)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cncc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C21H18Cl2N4O5/c1-27-20(29)17(16(32-2)10-25-27)12-5-3-11(4-6-12)7-15(21(30)31)26-19(28)18-13(22)8-24-9-14(18)23/h3-6,8-10,15H,7H2,1-2H3,(H,26,28)(H,30,31)/t15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372999
PNG
(CHEMBL256224)
Show SMILES Cc1cc(C)n(n1)-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C26H23Cl2N5O4/c1-14-11-15(2)33(31-14)21-13-29-32(3)25(35)22(21)17-9-7-16(8-10-17)12-20(26(36)37)30-24(34)23-18(27)5-4-6-19(23)28/h4-11,13,20H,12H2,1-3H3,(H,30,34)(H,36,37)/t20-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372989
PNG
(CHEMBL256638)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)NS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H22Cl2N4O6S/c1-29-23(32)19(18(35-2)12-26-29)14-9-7-13(8-10-14)11-17(21(30)28-36(3,33)34)27-22(31)20-15(24)5-4-6-16(20)25/h4-10,12,17H,11H2,1-3H3,(H,27,31)(H,28,30)/t17-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372984
PNG
(CHEMBL272513)
Show SMILES Cn1ncc(c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O)-n1cc(Br)cn1
Show InChI InChI=1S/C24H18BrCl2N5O4/c1-31-23(34)20(19(11-28-31)32-12-15(25)10-29-32)14-7-5-13(6-8-14)9-18(24(35)36)30-22(33)21-16(26)3-2-4-17(21)27/h2-8,10-12,18H,9H2,1H3,(H,30,33)(H,35,36)/t18-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373002
PNG
(CHEMBL272966)
Show SMILES Cn1ncc(-c2ccc3OCOc3c2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H21Cl2N3O6/c1-33-27(35)24(18(13-31-33)17-9-10-22-23(12-17)39-14-38-22)16-7-5-15(6-8-16)11-21(28(36)37)32-26(34)25-19(29)3-2-4-20(25)30/h2-10,12-13,21H,11,14H2,1H3,(H,32,34)(H,36,37)/t21-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373004
PNG
(CHEMBL258134)
Show SMILES Cn1ncc(-c2ccc(F)cc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C27H20Cl2FN3O4/c1-33-26(35)23(19(14-31-33)16-9-11-18(30)12-10-16)17-7-5-15(6-8-17)13-22(27(36)37)32-25(34)24-20(28)3-2-4-21(24)29/h2-12,14,22H,13H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372987
PNG
(CHEMBL258255)
Show SMILES Cn1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H23Cl2N3O6S/c1-33-27(35)24(20(15-31-33)17-10-12-19(13-11-17)40(2,38)39)18-8-6-16(7-9-18)14-23(28(36)37)32-26(34)25-21(29)4-3-5-22(25)30/h3-13,15,23H,14H2,1-2H3,(H,32,34)(H,36,37)/t23-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373007
PNG
(CHEMBL256239)
Show SMILES Cn1ncc(-c2ccccc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C27H21Cl2N3O4/c1-32-26(34)23(19(15-30-32)17-6-3-2-4-7-17)18-12-10-16(11-13-18)14-22(27(35)36)31-25(33)24-20(28)8-5-9-21(24)29/h2-13,15,22H,14H2,1H3,(H,31,33)(H,35,36)/t22-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372988
PNG
(CHEMBL403587)
Show SMILES Cc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12-11-25-27(2)21(29)18(12)14-8-6-13(7-9-14)10-17(22(30)31)26-20(28)19-15(23)4-3-5-16(19)24/h3-9,11,17H,10H2,1-2H3,(H,26,28)(H,30,31)/t17-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373009
PNG
(CHEMBL270191)
Show SMILES Cn1nccc(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C21H17Cl2N3O4/c1-26-20(28)14(9-10-24-26)13-7-5-12(6-8-13)11-17(21(29)30)25-19(27)18-15(22)3-2-4-16(18)23/h2-10,17H,11H2,1H3,(H,25,27)(H,29,30)/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373010
PNG
(CHEMBL272548)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)c2nnn[nH]2)cc1
Show InChI InChI=1S/C22H19Cl2N7O3/c1-31-22(33)18(17(34-2)11-25-31)13-8-6-12(7-9-13)10-16(20-27-29-30-28-20)26-21(32)19-14(23)4-3-5-15(19)24/h3-9,11,16H,10H2,1-2H3,(H,26,32)(H,27,28,29,30)/t16-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372994
PNG
(CHEMBL270407)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=S)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O4S/c1-27-21(28)18(17(31-2)11-25-27)13-8-6-12(7-9-13)10-16(22(29)30)26-20(32)19-14(23)4-3-5-15(19)24/h3-9,11,16H,10H2,1-2H3,(H,26,32)(H,29,30)/t16-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372995
PNG
(CHEMBL270621)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(C)noc2C)C(O)=O)cc1
Show InChI InChI=1S/C21H22N4O6/c1-11-17(12(2)31-24-11)19(26)23-15(21(28)29)9-13-5-7-14(8-6-13)18-16(30-4)10-22-25(3)20(18)27/h5-8,10,15H,9H2,1-4H3,(H,23,26)(H,28,29)/t15-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM16802
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-met...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O5/c1-27-21(29)18(17(32-2)11-25-27)13-8-6-12(7-9-13)10-16(22(30)31)26-20(28)19-14(23)4-3-5-15(19)24/h3-9,11,16H,10H2,1-2H3,(H,26,28)(H,30,31)/t16-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372997
PNG
(CHEMBL256493)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cccnc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C21H19ClN4O5/c1-26-20(28)17(16(31-2)11-24-26)13-7-5-12(6-8-13)10-15(21(29)30)25-19(27)14-4-3-9-23-18(14)22/h3-9,11,15H,10H2,1-2H3,(H,25,27)(H,29,30)/t15-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373011
PNG
(CHEMBL404430)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cc(F)ccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19ClFN3O5/c1-27-21(29)19(18(32-2)11-25-27)13-5-3-12(4-6-13)9-17(22(30)31)26-20(28)15-10-14(24)7-8-16(15)23/h3-8,10-11,17H,9H2,1-2H3,(H,26,28)(H,30,31)/t17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373012
PNG
(CHEMBL409728)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2ccc(cc2Cl)S(C)(=O)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H22ClN3O7S/c1-27-22(29)20(19(34-2)12-25-27)14-6-4-13(5-7-14)10-18(23(30)31)26-21(28)16-9-8-15(11-17(16)24)35(3,32)33/h4-9,11-12,18H,10H2,1-3H3,(H,26,28)(H,30,31)/t18-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372996
PNG
(CHEMBL401673)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2sccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C20H18ClN3O5S/c1-24-19(26)16(15(29-2)10-22-24)12-5-3-11(4-6-12)9-14(20(27)28)23-18(25)17-13(21)7-8-30-17/h3-8,10,14H,9H2,1-2H3,(H,23,25)(H,27,28)/t14-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50373008
PNG
(CHEMBL402318)
Show SMILES CCc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C23H21Cl2N3O4/c1-3-14-12-26-28(2)22(30)19(14)15-9-7-13(8-10-15)11-18(23(31)32)27-21(29)20-16(24)5-4-6-17(20)25/h4-10,12,18H,3,11H2,1-2H3,(H,27,29)(H,31,32)/t18-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372992
PNG
(CHEMBL256639)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@@H](CO)NC(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O4/c1-27-22(30)19(18(31-2)11-25-27)14-8-6-13(7-9-14)10-15(12-28)26-21(29)20-16(23)4-3-5-17(20)24/h3-9,11,15,28H,10,12H2,1-2H3,(H,26,29)/t15-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372993
PNG
(CHEMBL256839)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)NO)cc1
Show InChI InChI=1S/C22H20Cl2N4O5/c1-28-22(31)18(17(33-2)11-25-28)13-8-6-12(7-9-13)10-16(20(29)27-32)26-21(30)19-14(23)4-3-5-15(19)24/h3-9,11,16,32H,10H2,1-2H3,(H,26,30)(H,27,29)/t16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372990
PNG
(CHEMBL401672)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cccn2C)C(O)=O)cc1
Show InChI InChI=1S/C21H22N4O5/c1-24-10-4-5-16(24)19(26)23-15(21(28)29)11-13-6-8-14(9-7-13)18-17(30-3)12-22-25(2)20(18)27/h4-10,12,15H,11H2,1-3H3,(H,23,26)(H,28,29)/t15-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50372998
PNG
(CHEMBL403463)
Show SMILES Cn1ncc(c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O)-n1ncc2ccccc12
Show InChI InChI=1S/C28H21Cl2N5O4/c1-34-27(37)24(23(15-31-34)35-22-8-3-2-5-18(22)14-32-35)17-11-9-16(10-12-17)13-21(28(38)39)33-26(36)25-19(29)6-4-7-20(25)30/h2-12,14-15,21H,13H2,1H3,(H,33,36)(H,38,39)/t21-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50074661
PNG
((S)-1-{(S)-2-[(S)-3-Carboxy-2-((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)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Integrin alpha-4-beta-1-mediated adhesion in human jurkat cells


Nat Chem Biol 2: 381-9 (2006)


Article DOI: 10.1038/nchembio798
BindingDB Entry DOI: 10.7270/Q2PZ5B49
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50326000
PNG
((S)-6-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CCCCNC(=O)\C=C\c2cccnc2)C(=O)N[C@@H](CCCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C45H52N8O8/c1-30-11-5-6-15-35(30)53-45(61)49-34-22-19-32(20-23-34)28-40(55)50-36(16-7-8-26-48-39(54)24-21-33-14-10-25-47-29-33)43(59)51-37(17-9-18-41(56)57)44(60)52-38(42(46)58)27-31-12-3-2-4-13-31/h2-6,10-15,19-25,29,36-38H,7-9,16-18,26-28H2,1H3,(H2,46,58)(H,48,54)(H,50,55)(H,51,59)(H,52,60)(H,56,57)(H2,49,53,61)/b24-21+/t36-,37-,38+/m0/s1
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n/an/a 0.0220n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Integrin alpha-4-beta-1-mediated adhesion in human jurkat cells


Nat Chem Biol 2: 381-9 (2006)


Article DOI: 10.1038/nchembio798
BindingDB Entry DOI: 10.7270/Q2PZ5B49
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338168
PNG
((S)-2-benzamido-3-(4-(dimethylcarbamoyloxy)phenyl)...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C19H20N2O5/c1-21(2)19(25)26-15-10-8-13(9-11-15)12-16(18(23)24)20-17(22)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338169
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(quinazol...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncnc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C20H20N4O4/c1-24(2)20(27)28-14-9-7-13(8-10-14)11-17(19(25)26)23-18-15-5-3-4-6-16(15)21-12-22-18/h3-10,12,17H,11H2,1-2H3,(H,25,26)(H,21,22,23)/t17-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338170
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-phenyl...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H22N4O4/c1-26(2)22(29)30-17-10-8-15(9-11-17)12-19(21(27)28)25-20-18(13-23-14-24-20)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,27,28)(H,23,24,25)/t19-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338171
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-ortho...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2C)C(O)=O)cc1
Show InChI InChI=1S/C23H24N4O4/c1-15-6-4-5-7-18(15)19-13-24-14-25-21(19)26-20(22(28)29)12-16-8-10-17(11-9-16)31-23(30)27(2)3/h4-11,13-14,20H,12H2,1-3H3,(H,28,29)(H,24,25,26)/t20-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338172
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-(t...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H21F3N4O4/c1-30(2)22(33)34-15-9-7-14(8-10-15)11-19(21(31)32)29-20-17(12-27-13-28-20)16-5-3-4-6-18(16)23(24,25)26/h3-10,12-13,19H,11H2,1-2H3,(H,31,32)(H,27,28,29)/t19-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338173
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-me...)
Show SMILES COc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(O)=O
Show InChI InChI=1S/C23H24N4O5/c1-27(2)23(30)32-16-10-8-15(9-11-16)12-19(22(28)29)26-21-18(13-24-14-25-21)17-6-4-5-7-20(17)31-3/h4-11,13-14,19H,12H2,1-3H3,(H,28,29)(H,24,25,26)/t19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338174
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-fl...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2F)C(O)=O)cc1
Show InChI InChI=1S/C22H21FN4O4/c1-27(2)22(30)31-15-9-7-14(8-10-15)11-19(21(28)29)26-20-17(12-24-13-25-20)16-5-3-4-6-18(16)23/h3-10,12-13,19H,11H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338175
PNG
((S)-2-(5-(2,6-difluorophenyl)pyrimidin-4-ylamino)-...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(F)cccc2F)C(O)=O)cc1
Show InChI InChI=1S/C22H20F2N4O4/c1-28(2)22(31)32-14-8-6-13(7-9-14)10-18(21(29)30)27-20-15(11-25-12-26-20)19-16(23)4-3-5-17(19)24/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)(H,25,26,27)/t18-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338176
PNG
((2S)-2-(5-(2,3-dichlorophenyl)pyrimidin-4-ylamino)...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(Cl)c2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H20Cl2N4O4/c1-28(2)22(31)32-14-8-6-13(7-9-14)10-18(21(29)30)27-20-16(11-25-12-26-20)15-4-3-5-17(23)19(15)24/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)(H,25,26,27)/t18-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338177
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-mesity...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(C)cc(C)cc2C)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O4/c1-15-10-16(2)22(17(3)11-15)20-13-26-14-27-23(20)28-21(24(30)31)12-18-6-8-19(9-7-18)33-25(32)29(4)5/h6-11,13-14,21H,12H2,1-5H3,(H,30,31)(H,26,27,28)/t21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338178
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(3-nit...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C22H21N5O6/c1-26(2)22(30)33-17-8-6-14(7-9-17)10-19(21(28)29)25-20-18(12-23-13-24-20)15-4-3-5-16(11-15)27(31)32/h3-9,11-13,19H,10H2,1-2H3,(H,28,29)(H,23,24,25)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338179
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(pyrid...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C21H21N5O4/c1-26(2)21(29)30-16-7-5-14(6-8-16)10-18(20(27)28)25-19-17(12-23-13-24-19)15-4-3-9-22-11-15/h3-9,11-13,18H,10H2,1-2H3,(H,27,28)(H,23,24,25)/t18-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338180
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(pyrid...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccncc2)C(O)=O)cc1
Show InChI InChI=1S/C21H21N5O4/c1-26(2)21(29)30-16-5-3-14(4-6-16)11-18(20(27)28)25-19-17(12-23-13-24-19)15-7-9-22-10-8-15/h3-10,12-13,18H,11H2,1-2H3,(H,27,28)(H,23,24,25)/t18-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338181
PNG
((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(thiop...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccs2)C(O)=O)cc1
Show InChI InChI=1S/C20H20N4O4S/c1-24(2)20(27)28-14-7-5-13(6-8-14)10-16(19(25)26)23-18-15(11-21-12-22-18)17-4-3-9-29-17/h3-9,11-12,16H,10H2,1-2H3,(H,25,26)(H,21,22,23)/t16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338182
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(3-me...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2sccc2C)C(O)=O)cc1
Show InChI InChI=1S/C21H22N4O4S/c1-13-8-9-30-18(13)16-11-22-12-23-19(16)24-17(20(26)27)10-14-4-6-15(7-5-14)29-21(28)25(2)3/h4-9,11-12,17H,10H2,1-3H3,(H,26,27)(H,22,23,24)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338183
PNG
((S)-2-(5-(1H-pyrrol-2-yl)pyrimidin-4-ylamino)-3-(4...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccc[nH]2)C(O)=O)cc1
Show InChI InChI=1S/C20H21N5O4/c1-25(2)20(28)29-14-7-5-13(6-8-14)10-17(19(26)27)24-18-15(11-21-12-23-18)16-4-3-9-22-16/h3-9,11-12,17,22H,10H2,1-2H3,(H,26,27)(H,21,23,24)/t17-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338184
PNG
((S)-2-(2-(cyclohexyl(methyl)amino)quinazolin-4-yla...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(nc3ccccc23)N(C)C2CCCCC2)C(O)=O)cc1
Show InChI InChI=1S/C27H33N5O4/c1-31(2)27(35)36-20-15-13-18(14-16-20)17-23(25(33)34)28-24-21-11-7-8-12-22(21)29-26(30-24)32(3)19-9-5-4-6-10-19/h7-8,11-16,19,23H,4-6,9-10,17H2,1-3H3,(H,33,34)(H,28,29,30)/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
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