null
SMILES: CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1
InChI Key: InChIKey=YVUDZGKPSPCYKB-QHCPKHFHSA-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)) | BDBM50104534 (3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell | Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50104534 (3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA | Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50104534 (3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells | Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ | |||||||||||
More data for this Ligand-Target Pair |