Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 545.5 BDBM50276417

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))	BDBM50276417 (CHEMBL4159549) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2ccccn2)c1 Show InChI InChI=1S/C25H18F3N3O4S2/c1-31-14-17-12-15(5-7-18(17)24(31)32)21-9-10-22(36-21)16-6-8-20(35-25(26,27)28)19(13-16)30-37(33,34)23-4-2-3-11-29-23/h2-13,30H,14H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...				Eur J Med Chem 137: 139-155 (2017) Article DOI: 10.1016/j.ejmech.2017.05.048 BindingDB Entry DOI: 10.7270/Q21R6T15
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