BDBM50324820 (S)-2-(2-acetyl-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(thiophene-2-carboxamido)propanoic acid::CHEMBL1222228
SMILES: CC(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl
InChI Key: InChIKey=YAILVWWASWJOIF-AWEZNQCLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human)) | BDBM50324820 ((S)-2-(2-acetyl-5,7-dichloro-1,2,3,4-tetrahydroiso...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | 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 |