Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.4 BDBM50445255

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))	BDBM50445255 (CHEMBL3103900) Show SMILES O=C1NC(=S)N\C1=C\c1cc2cc(ccc2[nH]1)-c1ccc2C(=O)NCCc2c1 Show InChI InChI=1S/C21H16N4O2S/c26-19-16-3-1-11(7-13(16)5-6-22-19)12-2-4-17-14(8-12)9-15(23-17)10-18-20(27)25-21(28)24-18/h1-4,7-10,23H,5-6H2,(H,22,26)(H2,24,25,27,28)/b18-10+	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+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 (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...				J Med Chem 56: 9542-55 (2014) Article DOI: 10.1021/jm401604x BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
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