Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.5 BDBM50137364

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Perforin-1 (Homo sapiens (Human))	BDBM50137364 (CHEMBL3754144) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1 Show InChI InChI=1S/C24H22N2O3S/c1-25-10-12-26(13-11-25)23(27)17-4-2-16(3-5-17)21-8-9-22(30-21)18-6-7-20-19(14-18)15-29-24(20)28/h2-9,14H,10-13,15H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...				Bioorg Med Chem Lett 26: 355-60 (2016) Article DOI: 10.1016/j.bmcl.2015.12.003 BindingDB Entry DOI: 10.7270/Q2B859ZN
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