BDBM50107163 1-{3-[2,5-Dichloro-4-(2-methoxy-phenylsulfanyl)-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL343753

SMILES: COc1ccccc1Sc1cc(Cl)c(\C=C\C(=O)N2CCC(CC2)C(O)=O)cc1Cl

InChI Key: InChIKey=DSJXTYACXIVDIZ-VOTSOKGWSA-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 = 50107163   

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))	BDBM50107163 (1-{3-[2,5-Dichloro-4-(2-methoxy-phenylsulfanyl)-ph...) Show SMILES COc1ccccc1Sc1cc(Cl)c(\C=C\C(=O)N2CCC(CC2)C(O)=O)cc1Cl Show InChI InChI=1S/C22H21Cl2NO4S/c1-29-18-4-2-3-5-19(18)30-20-13-16(23)15(12-17(20)24)6-7-21(26)25-10-8-14(9-11-25)22(27)28/h2-7,12-14H,8-11H2,1H3,(H,27,28)/b7-6+	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	>2.00E+4	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				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair