null
SMILES: CCCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
InChI Key: InChIKey=JOZJWMSTRAKGKY-QFIPXVFZSA-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)) | BDBM50117065 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Inhibitory binding concentration against VCAM/VLA-4 in Ramos. | Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50117065 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Inhibitory binding concentration against VCAM/VLA-4 in ELISA. | Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5 | |||||||||||
More data for this Ligand-Target Pair |