BDBM50199035 4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-methyl-2,4-dioxo-1,3,7-triaza-spiro[4.4]non-9-yl]-benzonitrile::CHEMBL215018
SMILES: CC(C)CN1C[C@@H](c2ccc(cc2)C#N)[C@@]2(C1)N(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=UNSPTWPYUISLGN-XUZZJYLKSA-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 beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human)) | BDBM50199035 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-me...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep Curated by ChEMBL | Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC | J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3 | |||||||||||
More data for this Ligand-Target Pair |