BDBM50113574 (S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tetrahydro-furan-2-carbonyl]-amino}-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL287030
SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(O)=O)cc1
InChI Key: InChIKey=HPOGEWKAYYHIGE-HOFKKMOUSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50113574 ((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasma | Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha4beta7 (Homo sapiens (Human)) | BDBM50113574 ((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 499 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin | Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50113574 ((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin | Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7 | |||||||||||
More data for this Ligand-Target Pair |