Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.3 BDBM50361435

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))	BDBM50361435 (CHEMBL1934399) Show SMILES CN1C(=N)NC(=O)\C1=C/c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:9.9| Show InChI InChI=1S/C17H13N3O3S/c1-20-13(15(21)19-17(20)18)7-11-3-5-14(24-11)9-2-4-12-10(6-9)8-23-16(12)22/h2-7H,8H2,1H3,(H2,18,19,21)/b13-7+	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+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 Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...				Bioorg Med Chem 20: 1319-36 (2012) Article DOI: 10.1016/j.bmc.2011.12.011 BindingDB Entry DOI: 10.7270/Q29C6XW9
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