BDBM50103302 4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-acryloyl}-piperazine-1-carboxylic acid methylamide::CHEMBL317409

SMILES: CNC(=O)N1CCN(CC1)C(=O)C=Cc1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O

InChI Key: InChIKey=QNPSGQWAWDUUBG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103302   

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))	BDBM50103302 (4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...) Show SMILES CNC(=O)N1CCN(CC1)C(=O)C=Cc1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O |w:12.12| Show InChI InChI=1S/C24H28N4O4S/c1-17(2)19-6-4-5-7-21(19)33-22-10-8-18(16-20(22)28(31)32)9-11-23(29)26-12-14-27(15-13-26)24(30)25-3/h4-11,16-17H,12-15H2,1-3H3,(H,25,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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