BDBM50149226 (E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phenylsulfanyl)-5-nitro-cyclohexa-1,5-dienyl]-propenone::CHEMBL116785
SMILES: CC(C)c1ccccc1SC1CC=C(\C=C\C(=O)N2CCN(CC2)C(C)=O)C=C1[N+]([O-])=O
InChI Key: InChIKey=FFZPSNRNURGDLB-PKNBQFBNSA-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 |
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Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human)) | BDBM50149226 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of Leukocyte function associated antigen 1 (LFA-1) | J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ | |||||||||||
More data for this Ligand-Target Pair |