null
SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1
InChI Key: InChIKey=LTMQOAYQBDWTIQ-LSQMVHIFSA-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-7 (Homo sapiens (Human)) | BDBM50108208 ((S)-2-{[(2S,3S)-1-(3,5-Dichloro-benzenesulfonyl)-3...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells | Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50108208 ((S)-2-{[(2S,3S)-1-(3,5-Dichloro-benzenesulfonyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integrin alpha4-beta1 of human Jurkat cells | Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX | |||||||||||
More data for this Ligand-Target Pair |