BDBM50107180 1-{3-[4-(2-Methoxy-phenylsulfanyl)-2-trifluoromethyl-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL140234
SMILES: COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1)C(F)(F)F
InChI Key: InChIKey=AKSYYTVXRGFZRN-VQHVLOKHSA-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 |
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Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human)) | BDBM50107180 (1-{3-[4-(2-Methoxy-phenylsulfanyl)-2-trifluorometh...) | 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 | 265 | 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 (260-270) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair |