BDBM50107185 1-(4-Acetyl-piperazin-1-yl)-3-[2-fluoro-4-(2-methoxy-phenylsulfanyl)-phenyl]-propenone::CHEMBL138779

SMILES: COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)c(F)c1

InChI Key: InChIKey=YPDNBDTYVDBDQF-CSKARUKUSA-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 = 50107185   

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))	BDBM50107185 (1-(4-Acetyl-piperazin-1-yl)-3-[2-fluoro-4-(2-metho...) Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)c(F)c1 Show InChI InChI=1S/C22H23FN2O3S/c1-16(26)24-11-13-25(14-12-24)22(27)10-8-17-7-9-18(15-19(17)23)29-21-6-4-3-5-20(21)28-2/h3-10,15H,11-14H2,1-2H3/b10-8+	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	3.90E+3	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 (2500-11500)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair