BDBM50199031 4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-dioxo-7-quinolin-6-ylmethyl-1,3,7-triaza-spiro[4.4]non-9-yl]-benzonitrile::CHEMBL215170
SMILES: CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=MCNILTQMLDZWKD-FREGXXQWSA-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)) | BDBM50199031 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6 | 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 |