BDBM50098762 1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-ethyl-1H-indol-7-ylsulfanyl)-phenyl]-propenone::CHEMBL19390

SMILES: CCn1ccc2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12

InChI Key: InChIKey=IBJIONZZKQZZDE-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 = 50098762   

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))	BDBM50098762 (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-ethyl...) Show SMILES CCn1ccc2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12 Show InChI InChI=1S/C25H26ClN3O2S/c1-3-27-12-11-20-5-4-6-23(25(20)27)32-22-9-7-19(17-21(22)26)8-10-24(31)29-15-13-28(14-16-29)18(2)30/h4-12,17H,3,13-16H2,1-2H3/b10-8+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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 (120-140)				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair