BDBM50103304 3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-1-[2-(1H-tetrazol-5-yl)-morpholin-4-yl]-propenone::CHEMBL330443
SMILES: CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCOC(C2)c2nnn[nH]2)cc1[N+]([O-])=O
InChI Key: InChIKey=WVCQICGGXLHQQZ-UHFFFAOYSA-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)) | BDBM50103304 (3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1) | J Med Chem 44: 2913-20 (2001) BindingDB Entry DOI: 10.7270/Q2PZ5831 | |||||||||||
More data for this Ligand-Target Pair |