BDBM50107189 1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3-nitro-phenyl]-propenone::CHEMBL538164

SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=UAGAHTYBWKROHT-XVNBXDOJSA-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 = 50107189   

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 alpha-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50107189 (1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dihydro-benz...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H23N3O6S/c1-16(27)24-8-10-25(11-9-24)23(28)7-3-17-2-6-22(19(14-17)26(29)30)33-18-4-5-20-21(15-18)32-13-12-31-20/h2-7,14-15H,8-13H2,1H3/b7-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(120-140)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair