BDBM50264880 (trans)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenoxy)methyl)cyclohexanecarboxylic acid::CHEMBL502756
SMILES: OC(=O)[C@H]1CC[C@H](COc2ccccc2Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)CC1
InChI Key: InChIKey=AXSOGTWJBSDWJQ-WDYYSVFXSA-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)) | BDBM50264880 ((trans)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-eny...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method | Bioorg Med Chem Lett 18: 5245-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.062 BindingDB Entry DOI: 10.7270/Q23B5ZZ1 | |||||||||||
More data for this Ligand-Target Pair |