BDBM50324807 (S)-2-(2-benzoyl-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(thiophene-2-carboxamido)propanoic acid::CHEMBL1221969
SMILES: OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccccc1
InChI Key: InChIKey=DIRSGZLYFCLEDL-SFHVURJKSA-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 alpha-L/beta-2 (LFA-1) (Homo sapiens (Human)) | BDBM50324807 ((S)-2-(2-benzoyl-5,7-dichloro-1,2,3,4-tetrahydrois...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum | Bioorg Med Chem Lett 20: 5269-73 (2010) Article DOI: 10.1016/j.bmcl.2010.06.145 BindingDB Entry DOI: 10.7270/Q2N58MKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human)) | BDBM50324807 ((S)-2-(2-benzoyl-5,7-dichloro-1,2,3,4-tetrahydrois...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay | Bioorg Med Chem Lett 20: 5269-73 (2010) Article DOI: 10.1016/j.bmcl.2010.06.145 BindingDB Entry DOI: 10.7270/Q2N58MKB | |||||||||||
More data for this Ligand-Target Pair |