Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.6 BDBM50276537

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))	BDBM50276537 (CHEMBL4166318) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H21N3O5S3/c1-28-15-18-11-16(3-8-22(18)25(28)29)23-9-10-24(34-23)17-12-19(14-26-13-17)27-36(32,33)21-6-4-20(5-7-21)35(2,30)31/h3-14,27H,15H2,1-2H3	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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