BDBM50107161 1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-propenone::CHEMBL341999

SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl

InChI Key: InChIKey=GYELUVCNTNLZSS-XVNBXDOJSA-N

Data: 2 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 2 hits for monomerid = 50107161   

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))	BDBM50107161 (1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H22Cl2N2O4S/c1-15(28)26-8-10-27(11-9-26)21(29)7-3-16-2-6-20(23(25)22(16)24)32-17-4-5-18-19(14-17)31-13-12-30-18/h2-7,14H,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 Similars	PubMed	n/a	n/a	7	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(6-9)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50107161 (1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H22Cl2N2O4S/c1-15(28)26-8-10-27(11-9-26)21(29)7-3-16-2-6-20(23(25)22(16)24)32-17-4-5-18-19(14-17)31-13-12-30-18/h2-7,14H,8-13H2,1H3/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-10)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair