BDBM50107164 3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-phenyl]-1-morpholin-4-yl-propenone::CHEMBL344897

SMILES: COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl

InChI Key: InChIKey=BWIPTTGMQIMVBA-VQHVLOKHSA-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 = 50107164   

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/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50107164 (3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...) Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50107164 (3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...) Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+	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	10	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(6-13)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair