BDBM50107164 3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-phenyl]-1-morpholin-4-yl-propenone::CHEMBL344897
SMILES: COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl
InChI Key: InChIKey=BWIPTTGMQIMVBA-VQHVLOKHSA-N
Data: 2 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 beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human)) | BDBM50107164 (3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1 | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human)) | BDBM50107164 (3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...) | 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 | 10 | 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(6-13) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair |