Found 107 hits with Last Name = 'shoemaker' and Initial = 'm' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437671
![PNG](/data/jpeg/tenK5043/BindingDB_50437671.png) (CHEMBL2408057)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-11-13-23(32)14-12-22)27(35-30)34-25(29(40)41)19-21-9-15-24(16-10-21)43-31(42)37-17-7-8-18-37/h9-16,20,25H,4-8,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437674
![PNG](/data/jpeg/tenK5043/BindingDB_50437674.png) (CHEMBL2408066)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H41N7O6/c1-4-33(5-2)27-30-20-24(36(6-3)28(39)34-15-17-41-18-16-34)25(32-27)31-23(26(37)38)19-21-9-11-22(12-10-21)42-29(40)35-13-7-8-14-35/h9-12,20,23H,4-8,13-19H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437660
![PNG](/data/jpeg/tenK5043/BindingDB_50437660.png) (CHEMBL2408058)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-19-23(35(6-3)26(36)24-10-9-17-41-24)25(32-28)31-22(27(37)38)18-20-11-13-21(14-12-20)40-29(39)34-15-7-8-16-34/h9-14,17,19,22H,4-8,15-16,18H2,1-3H3,(H,37,38)(H,30,31,32)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437663
![PNG](/data/jpeg/tenK5043/BindingDB_50437663.png) (CHEMBL2408059)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccsc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-41-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)40-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437669
![PNG](/data/jpeg/tenK5043/BindingDB_50437669.png) (CHEMBL2408056)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccc(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-10-9-11-23(32)19-22)27(35-30)34-25(29(40)41)18-21-12-14-24(15-13-21)43-31(42)37-16-7-8-17-37/h9-15,19-20,25H,4-8,16-18H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437666
![PNG](/data/jpeg/tenK5043/BindingDB_50437666.png) (CHEMBL2408055)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)23-11-7-8-12-24(23)32)27(35-30)34-25(29(40)41)19-21-13-15-22(16-14-21)43-31(42)37-17-9-10-18-37/h7-8,11-16,20,25H,4-6,9-10,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437662
![PNG](/data/jpeg/tenK5043/BindingDB_50437662.png) (CHEMBL2408061)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2nccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O5S/c1-4-33(5-2)27-30-18-22(35(6-3)25(36)24-29-13-16-41-24)23(32-27)31-21(26(37)38)17-19-9-11-20(12-10-19)40-28(39)34-14-7-8-15-34/h9-13,16,18,21H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437674
![PNG](/data/jpeg/tenK5043/BindingDB_50437674.png) (CHEMBL2408066)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H41N7O6/c1-4-33(5-2)27-30-20-24(36(6-3)28(39)34-15-17-41-18-16-34)25(32-27)31-23(26(37)38)19-21-9-11-22(12-10-21)42-29(40)35-13-7-8-14-35/h9-12,20,23H,4-8,13-19H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437668
![PNG](/data/jpeg/tenK5043/BindingDB_50437668.png) (CHEMBL2407099)Show SMILES CCN(CC)c1ncc(N(CC)C(C)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H36N6O5/c1-5-30(6-2)25-27-17-22(32(7-3)18(4)33)23(29-25)28-21(24(34)35)16-19-10-12-20(13-11-19)37-26(36)31-14-8-9-15-31/h10-13,17,21H,5-9,14-16H2,1-4H3,(H,34,35)(H,27,28,29)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437665
![PNG](/data/jpeg/tenK5043/BindingDB_50437665.png) (CHEMBL2408065)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCCCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C30H43N7O5/c1-4-34(5-2)28-31-21-25(37(6-3)29(40)35-16-8-7-9-17-35)26(33-28)32-24(27(38)39)20-22-12-14-23(15-13-22)42-30(41)36-18-10-11-19-36/h12-15,21,24H,4-11,16-20H2,1-3H3,(H,38,39)(H,31,32,33)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437673
![PNG](/data/jpeg/tenK5043/BindingDB_50437673.png) (CHEMBL2407892)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437675
![PNG](/data/jpeg/tenK5043/BindingDB_50437675.png) (CHEMBL2408062)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C30H37N7O5/c1-4-35(5-2)29-32-20-25(37(6-3)27(38)23-11-7-8-16-31-23)26(34-29)33-24(28(39)40)19-21-12-14-22(15-13-21)42-30(41)36-17-9-10-18-36/h7-8,11-16,20,24H,4-6,9-10,17-19H2,1-3H3,(H,39,40)(H,32,33,34)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437672
![PNG](/data/jpeg/tenK5043/BindingDB_50437672.png) (CHEMBL2408060)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccoc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O6/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-40-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)41-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437664
![PNG](/data/jpeg/tenK5043/BindingDB_50437664.png) (CHEMBL2408063)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N(C)C)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C27H39N7O5/c1-6-32(7-2)25-28-18-22(34(8-3)26(37)31(4)5)23(30-25)29-21(24(35)36)17-19-11-13-20(14-12-19)39-27(38)33-15-9-10-16-33/h11-14,18,21H,6-10,15-17H2,1-5H3,(H,35,36)(H,28,29,30)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437667
![PNG](/data/jpeg/tenK5043/BindingDB_50437667.png) (CHEMBL2408064)Show SMILES CCN(CC)C(=O)N(CC)c1cnc(nc1N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(O)=O)N(CC)CC |r| Show InChI InChI=1S/C29H43N7O5/c1-6-33(7-2)27-30-20-24(36(10-5)28(39)34(8-3)9-4)25(32-27)31-23(26(37)38)19-21-13-15-22(16-14-21)41-29(40)35-17-11-12-18-35/h13-16,20,23H,6-12,17-19H2,1-5H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437657
![PNG](/data/jpeg/tenK5043/BindingDB_50437657.png) (CHEMBL2408067)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H39N7O5/c1-4-36(5-2)29-32-21-26(38(6-3)30(41)33-23-12-8-7-9-13-23)27(35-29)34-25(28(39)40)20-22-14-16-24(17-15-22)43-31(42)37-18-10-11-19-37/h7-9,12-17,21,25H,4-6,10-11,18-20H2,1-3H3,(H,33,41)(H,39,40)(H,32,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437661
![PNG](/data/jpeg/tenK5043/BindingDB_50437661.png) (CHEMBL2407882)Show SMILES CCN(CC)c1ncc(N(CCc2ccccc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H40N6O6S/c1-4-35(5-2)30-32-22-27(37(44(3,41)42)20-17-23-11-7-6-8-12-23)28(34-30)33-26(29(38)39)21-24-13-15-25(16-14-24)43-31(40)36-18-9-10-19-36/h6-8,11-16,22,26H,4-5,9-10,17-21H2,1-3H3,(H,38,39)(H,32,33,34)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437656
![PNG](/data/jpeg/tenK5043/BindingDB_50437656.png) (CHEMBL2407888)Show SMILES CCN(CC)c1ncc(N(c2cccnc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-9-8-14-29-18-21)25(32-27)31-23(26(36)37)17-20-10-12-22(13-11-20)41-28(38)34-15-6-7-16-34/h8-14,18-19,23H,4-7,15-17H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50433575
![PNG](/data/jpeg/tenK5043/BindingDB_50433575.png) (CHEMBL2381700)Show SMILES CCN(CC)c1ncc(N(CC#C)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H35FN6O6S/c1-4-17-38(45(42,43)25-15-11-23(32)12-16-25)27-21-33-30(36(5-2)6-3)35-28(27)34-26(29(39)40)20-22-9-13-24(14-10-22)44-31(41)37-18-7-8-19-37/h1,9-16,21,26H,5-8,17-20H2,2-3H3,(H,39,40)(H,33,34,35)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437665
![PNG](/data/jpeg/tenK5043/BindingDB_50437665.png) (CHEMBL2408065)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCCCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C30H43N7O5/c1-4-34(5-2)28-31-21-25(37(6-3)29(40)35-16-8-7-9-17-35)26(33-28)32-24(27(38)39)20-22-12-14-23(15-13-22)42-30(41)36-18-10-11-19-36/h12-15,21,24H,4-11,16-20H2,1-3H3,(H,38,39)(H,31,32,33)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437652
![PNG](/data/jpeg/tenK5043/BindingDB_50437652.png) (CHEMBL2408069)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C33H43N7O5/c1-4-38(5-2)31-35-23-28(40(6-3)32(43)34-19-18-24-12-8-7-9-13-24)29(37-31)36-27(30(41)42)22-25-14-16-26(17-15-25)45-33(44)39-20-10-11-21-39/h7-9,12-17,23,27H,4-6,10-11,18-22H2,1-3H3,(H,34,43)(H,41,42)(H,35,36,37)/t27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437662
![PNG](/data/jpeg/tenK5043/BindingDB_50437662.png) (CHEMBL2408061)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2nccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O5S/c1-4-33(5-2)27-30-18-22(35(6-3)25(36)24-29-13-16-41-24)23(32-27)31-21(26(37)38)17-19-9-11-20(12-10-19)40-28(39)34-14-7-8-15-34/h9-13,16,18,21H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437664
![PNG](/data/jpeg/tenK5043/BindingDB_50437664.png) (CHEMBL2408063)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N(C)C)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C27H39N7O5/c1-6-32(7-2)25-28-18-22(34(8-3)26(37)31(4)5)23(30-25)29-21(24(35)36)17-19-11-13-20(14-12-19)39-27(38)33-15-9-10-16-33/h11-14,18,21H,6-10,15-17H2,1-5H3,(H,35,36)(H,28,29,30)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437649
![PNG](/data/jpeg/tenK5043/BindingDB_50437649.png) (CHEMBL2408070)Show SMILES CCN(CC)c1ncc(N(CC)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C25H36N6O6S/c1-5-29(6-2)24-26-17-21(31(7-3)38(4,35)36)22(28-24)27-20(23(32)33)16-18-10-12-19(13-11-18)37-25(34)30-14-8-9-15-30/h10-13,17,20H,5-9,14-16H2,1-4H3,(H,32,33)(H,26,27,28)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437651
![PNG](/data/jpeg/tenK5043/BindingDB_50437651.png) (CHEMBL2408068)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C32H41N7O5/c1-4-37(5-2)30-33-22-27(39(6-3)31(42)34-21-24-12-8-7-9-13-24)28(36-30)35-26(29(40)41)20-23-14-16-25(17-15-23)44-32(43)38-18-10-11-19-38/h7-9,12-17,22,26H,4-6,10-11,18-21H2,1-3H3,(H,34,42)(H,40,41)(H,33,35,36)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437653
![PNG](/data/jpeg/tenK5043/BindingDB_50437653.png) (CHEMBL2407891)Show SMILES CCNc1ncc(N(C(C)C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C24H34N6O6S/c1-5-25-23-26-15-20(30(16(2)3)37(4,34)35)21(28-23)27-19(22(31)32)14-17-8-10-18(11-9-17)36-24(33)29-12-6-7-13-29/h8-11,15-16,19H,5-7,12-14H2,1-4H3,(H,31,32)(H2,25,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437650
![PNG](/data/jpeg/tenK5043/BindingDB_50437650.png) (CHEMBL2407883)Show SMILES CCN(CC)c1ncc(N(C(C)C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H38N6O6S/c1-6-30(7-2)25-27-17-22(32(18(3)4)39(5,36)37)23(29-25)28-21(24(33)34)16-19-10-12-20(13-11-19)38-26(35)31-14-8-9-15-31/h10-13,17-18,21H,6-9,14-16H2,1-5H3,(H,33,34)(H,27,28,29)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437646
![PNG](/data/jpeg/tenK5043/BindingDB_50437646.png) (CHEMBL2407881)Show SMILES CCN(CC)c1ncc(N(CC#C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-5-14-32(39(4,36)37)22-18-27-25(30(6-2)7-3)29-23(22)28-21(24(33)34)17-19-10-12-20(13-11-19)38-26(35)31-15-8-9-16-31/h1,10-13,18,21H,6-9,14-17H2,2-4H3,(H,33,34)(H,27,28,29)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437644
![PNG](/data/jpeg/tenK5043/BindingDB_50437644.png) (CHEMBL2407880)Show SMILES CCN(CC)c1ncc(N(C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C24H34N6O6S/c1-5-29(6-2)23-25-16-20(28(3)37(4,34)35)21(27-23)26-19(22(31)32)15-17-9-11-18(12-10-17)36-24(33)30-13-7-8-14-30/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,31,32)(H,25,26,27)/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437660
![PNG](/data/jpeg/tenK5043/BindingDB_50437660.png) (CHEMBL2408058)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-19-23(35(6-3)26(36)24-10-9-17-41-24)25(32-28)31-22(27(37)38)18-20-11-13-21(14-12-20)40-29(39)34-15-7-8-16-34/h9-14,17,19,22H,4-8,15-16,18H2,1-3H3,(H,37,38)(H,30,31,32)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437652
![PNG](/data/jpeg/tenK5043/BindingDB_50437652.png) (CHEMBL2408069)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C33H43N7O5/c1-4-38(5-2)31-35-23-28(40(6-3)32(43)34-19-18-24-12-8-7-9-13-24)29(37-31)36-27(30(41)42)22-25-14-16-26(17-15-25)45-33(44)39-20-10-11-21-39/h7-9,12-17,23,27H,4-6,10-11,18-22H2,1-3H3,(H,34,43)(H,41,42)(H,35,36,37)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437673
![PNG](/data/jpeg/tenK5043/BindingDB_50437673.png) (CHEMBL2407892)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437668
![PNG](/data/jpeg/tenK5043/BindingDB_50437668.png) (CHEMBL2407099)Show SMILES CCN(CC)c1ncc(N(CC)C(C)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H36N6O5/c1-5-30(6-2)25-27-17-22(32(7-3)18(4)33)23(29-25)28-21(24(34)35)16-19-10-12-20(13-11-19)37-26(36)31-14-8-9-15-31/h10-13,17,21H,5-9,14-16H2,1-4H3,(H,34,35)(H,27,28,29)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437663
![PNG](/data/jpeg/tenK5043/BindingDB_50437663.png) (CHEMBL2408059)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccsc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-41-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)40-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437640
![PNG](/data/jpeg/tenK5043/BindingDB_50437640.png) (CHEMBL1684983)Show SMILES CCN(CC)c1ncc(-c2c(C)noc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1 |r,wU:18.18,(15.99,-37.33,;15.99,-38.86,;14.66,-39.63,;13.32,-38.87,;13.32,-37.32,;14.67,-41.17,;13.34,-41.94,;13.33,-43.48,;14.67,-44.25,;14.67,-45.79,;13.43,-46.69,;11.97,-46.22,;13.91,-48.15,;15.45,-48.15,;15.92,-46.69,;17.38,-46.21,;16.01,-43.48,;17.34,-44.25,;18.67,-43.48,;18.67,-41.94,;20,-41.17,;21.34,-41.94,;22.67,-41.17,;22.67,-39.63,;24,-38.85,;25.34,-39.62,;25.34,-41.16,;26.67,-38.84,;28,-39.61,;26.66,-37.32,;21.33,-38.86,;20,-39.63,;20.01,-44.25,;21.34,-43.47,;20.01,-45.79,;16,-41.93,)| Show InChI InChI=1S/C25H32N6O5/c1-7-31(8-2)24-26-14-19(21-15(3)29-36-16(21)4)22(28-24)27-20(23(32)33)13-17-9-11-18(12-10-17)35-25(34)30(5)6/h9-12,14,20H,7-8,13H2,1-6H3,(H,32,33)(H,26,27,28)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437659
![PNG](/data/jpeg/tenK5043/BindingDB_50437659.png) (CHEMBL2407889)Show SMILES CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-12-14-29-15-13-21)25(32-27)31-23(26(36)37)18-20-8-10-22(11-9-20)41-28(38)34-16-6-7-17-34/h8-15,19,23H,4-7,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437671
![PNG](/data/jpeg/tenK5043/BindingDB_50437671.png) (CHEMBL2408057)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-11-13-23(32)14-12-22)27(35-30)34-25(29(40)41)19-21-9-15-24(16-10-21)43-31(42)37-17-7-8-18-37/h9-16,20,25H,4-8,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437641
![PNG](/data/jpeg/tenK5043/BindingDB_50437641.png) (CHEMBL2407885)Show SMILES CCN(CC)c1ncc(N(c2cccc(F)c2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H35FN6O6S/c1-4-34(5-2)28-31-19-25(36(43(3,40)41)22-10-8-9-21(30)18-22)26(33-28)32-24(27(37)38)17-20-11-13-23(14-12-20)42-29(39)35-15-6-7-16-35/h8-14,18-19,24H,4-7,15-17H2,1-3H3,(H,37,38)(H,31,32,33)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437643
![PNG](/data/jpeg/tenK5043/BindingDB_50437643.png) (CHEMBL2408071)Show SMILES CCN(CC)c1ncc(N(CC)S(=O)(=O)N(C)C)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H39N7O6S/c1-6-31(7-2)25-27-18-22(33(8-3)40(37,38)30(4)5)23(29-25)28-21(24(34)35)17-19-11-13-20(14-12-19)39-26(36)32-15-9-10-16-32/h11-14,18,21H,6-10,15-17H2,1-5H3,(H,34,35)(H,27,28,29)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437669
![PNG](/data/jpeg/tenK5043/BindingDB_50437669.png) (CHEMBL2408056)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccc(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-10-9-11-23(32)19-22)27(35-30)34-25(29(40)41)18-21-12-14-24(15-13-21)43-31(42)37-16-7-8-17-37/h9-15,19-20,25H,4-8,16-18H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437645
![PNG](/data/jpeg/tenK5043/BindingDB_50437645.png) (CHEMBL2407878)Show SMILES CCN(CC)c1ncc(N(CC)c2cccnc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H37N7O4/c1-4-34(5-2)28-31-20-25(36(6-3)22-10-9-15-30-19-22)26(33-28)32-24(27(37)38)18-21-11-13-23(14-12-21)40-29(39)35-16-7-8-17-35/h9-15,19-20,24H,4-8,16-18H2,1-3H3,(H,37,38)(H,31,32,33)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437672
![PNG](/data/jpeg/tenK5043/BindingDB_50437672.png) (CHEMBL2408060)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccoc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H36N6O6/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-40-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)41-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437657
![PNG](/data/jpeg/tenK5043/BindingDB_50437657.png) (CHEMBL2408067)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H39N7O5/c1-4-36(5-2)29-32-21-26(38(6-3)30(41)33-23-12-8-7-9-13-23)27(35-29)34-25(28(39)40)20-22-14-16-24(17-15-22)43-31(42)37-18-10-11-19-37/h7-9,12-17,21,25H,4-6,10-11,18-20H2,1-3H3,(H,33,41)(H,39,40)(H,32,34,35)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437648
![PNG](/data/jpeg/tenK5043/BindingDB_50437648.png) (CHEMBL2407879)Show SMILES CCN(CC)c1ncc(N(CC)c2ncccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H36N8O4/c1-4-34(5-2)27-31-19-23(36(6-3)26-29-14-9-15-30-26)24(33-27)32-22(25(37)38)18-20-10-12-21(13-11-20)40-28(39)35-16-7-8-17-35/h9-15,19,22H,4-8,16-18H2,1-3H3,(H,37,38)(H,31,32,33)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437654
![PNG](/data/jpeg/tenK5043/BindingDB_50437654.png) (CHEMBL2408072)Show SMILES CCN(CC)c1ncc(N(CC)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C30H37FN6O4/c1-4-35(5-2)29-32-20-26(37(6-3)25-12-8-7-11-23(25)31)27(34-29)33-24(28(38)39)19-21-13-15-22(16-14-21)41-30(40)36-17-9-10-18-36/h7-8,11-16,20,24H,4-6,9-10,17-19H2,1-3H3,(H,38,39)(H,32,33,34)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437666
![PNG](/data/jpeg/tenK5043/BindingDB_50437666.png) (CHEMBL2408055)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)23-11-7-8-12-24(23)32)27(35-30)34-25(29(40)41)19-21-13-15-22(16-14-21)43-31(42)37-17-9-10-18-37/h7-8,11-16,20,25H,4-6,9-10,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437642
![PNG](/data/jpeg/tenK5043/BindingDB_50437642.png) (CHEMBL2407884)Show SMILES CCN(CC)c1ncc(N(C2CCCC2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H40N6O6S/c1-4-32(5-2)27-29-19-24(34(41(3,38)39)21-10-6-7-11-21)25(31-27)30-23(26(35)36)18-20-12-14-22(15-13-20)40-28(37)33-16-8-9-17-33/h12-15,19,21,23H,4-11,16-18H2,1-3H3,(H,35,36)(H,29,30,31)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50437639
![PNG](/data/jpeg/tenK5043/BindingDB_50437639.png) (CHEMBL2407887)Show SMILES CCN(CC)c1ncc(N(c2ccccn2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-23(35(42(3,39)40)24-10-6-7-15-29-24)25(32-27)31-22(26(36)37)18-20-11-13-21(14-12-20)41-28(38)34-16-8-9-17-34/h6-7,10-15,19,22H,4-5,8-9,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437659
![PNG](/data/jpeg/tenK5043/BindingDB_50437659.png) (CHEMBL2407889)Show SMILES CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-12-14-29-15-13-21)25(32-27)31-23(26(36)37)18-20-8-10-22(11-9-20)41-28(38)34-16-6-7-17-34/h8-15,19,23H,4-7,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50437645
![PNG](/data/jpeg/tenK5043/BindingDB_50437645.png) (CHEMBL2407878)Show SMILES CCN(CC)c1ncc(N(CC)c2cccnc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H37N7O4/c1-4-34(5-2)28-31-20-25(36(6-3)22-10-9-15-30-19-22)26(33-28)32-24(27(37)38)18-21-11-13-23(14-12-21)40-29(39)35-16-7-8-17-35/h9-15,19-20,24H,4-8,16-18H2,1-3H3,(H,37,38)(H,31,32,33)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |