null
SMILES: COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)C(C)C)C(O)=O)cc1
InChI Key: InChIKey=SSYLLNMYBQFPCH-DFBJGRDBSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50113579 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-2-is...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.5 | 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 alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50113579 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-2-is...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.700 | 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 | |||||||||||||
Integrin alpha-4/beta-7 (Homo sapiens (Human)) | BDBM50113579 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-2-is...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.10 | 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 |