BDBM50098768 1-(4-Acetyl-piperazin-1-yl)-3-[4-(benzo[1,3]dioxol-5-ylsulfanyl)-3-chloro-phenyl]-propenone::CHEMBL19461

SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCOc3c2)c(Cl)c1

InChI Key: InChIKey=FKFWCWLZUOSSNM-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 = 50098768   

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 (Homo sapiens (Human))	BDBM50098768 (1-(4-Acetyl-piperazin-1-yl)-3-[4-(benzo[1,3]dioxol...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCOc3c2)c(Cl)c1 Show InChI InChI=1S/C22H21ClN2O4S/c1-15(26)24-8-10-25(11-9-24)22(27)7-3-16-2-6-21(18(23)12-16)30-17-4-5-19-20(13-17)29-14-28-19/h2-7,12-13H,8-11,14H2,1H3/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (110-140)				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair