BDBM50103294 4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-acryloyl}-piperazine-2-carboxylic acid methyl ester::CHEMBL97875

SMILES: COC(=O)C1CN(CCN1)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O

InChI Key: InChIKey=DEABNERZBCCLOD-PKNBQFBNSA-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 = 50103294   

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))	BDBM50103294 (4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...) Show SMILES COC(=O)C1CN(CCN1)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H27N3O5S/c1-16(2)18-6-4-5-7-21(18)33-22-10-8-17(14-20(22)27(30)31)9-11-23(28)26-13-12-25-19(15-26)24(29)32-3/h4-11,14,16,19,25H,12-13,15H2,1-3H3/b11-9+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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