Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.4 BDBM50121559

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
Cathepsin S (Homo sapiens (Human))	BDBM50121559 (CHEMBL356588 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C18H24N4O3/c1-14(20-18(24)22-9-11-25-12-10-22)17(23)21-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
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