Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.1 BDBM50390519

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
Neutral cholesterol ester hydrolase 1 (Homo sapiens (Human))	BDBM50390519 (CHEMBL2071650) Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C#N Show InChI InChI=1S/C14H11BrN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr				Bioorg Med Chem Lett 22: 5748-51 (2012) Article DOI: 10.1016/j.bmcl.2012.05.102 BindingDB Entry DOI: 10.7270/Q27S7PTD
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