Found 7 hits in this display 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)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha4-beta1 binding to VCAM-Ig |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| 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 |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha4-beta1 adhesion to Jurkat cells |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha4-beta7 adhesion to JY cells |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICAM-1 transfected CHO cell adhesion to integrin alphaL-beta2 of human JY cells |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha5-beta1 adhesion to K562 cells |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha1-beta1 adhesion using K562 cells expressing alpha-1 |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50074659
((S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-...)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)=O Show InChI InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Inc.
Curated by ChEMBL
| Assay Description Inhibition of integrin alphaIIb-beta3 adhesion to human citreated platelets |
J Med Chem 42: 920-34 (1999)
Article DOI: 10.1021/jm980673g BindingDB Entry DOI: 10.7270/Q2P26XBF |
More data for this Ligand-Target Pair | |