Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.7 BDBM50347223

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))	BDBM50347223 (CHEMBL1795786) Show SMILES NC(=O)COc1ccc(C=C(C#N)c2nc3cccc(Cl)c3[nH]2)cc1 |w:9.8| Show InChI InChI=1S/C18H13ClN4O2/c19-14-2-1-3-15-17(14)23-18(22-15)12(9-20)8-11-4-6-13(7-5-11)25-10-16(21)24/h1-8H,10H2,(H2,21,24)(H,22,23)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubation with Jurkat ce...				Bioorg Med Chem 19: 4091-100 (2011) Article DOI: 10.1016/j.bmc.2011.05.013 BindingDB Entry DOI: 10.7270/Q2W66M48
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