BDBM50107175 1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL138860
SMILES: OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
InChI Key: InChIKey=ZVEFYLSXTQFRDO-QHHAFSJGSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human)) | BDBM50107175 (1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(140-150) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair |