null

SMILES: CC(C)CN1CC[C@](C1)(NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1)C#N

InChI Key: InChIKey=GXRFUGPTAKJZGL-QPPBQGQZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50208849   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM50208849 ((R)-N-((R)-3-cyano-1-isobutylpyrrolidin-3-yl)-2-(c...) Show SMILES CC(C)CN1CC[C@](C1)(NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C24H40N4O3/c1-19(2)16-27-9-8-24(17-25,18-27)26-23(30)21(14-20-6-4-3-5-7-20)15-22(29)28-10-12-31-13-11-28/h19-21H,3-16,18H2,1-2H3,(H,26,30)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50208849 ((R)-N-((R)-3-cyano-1-isobutylpyrrolidin-3-yl)-2-(c...) Show SMILES CC(C)CN1CC[C@](C1)(NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C24H40N4O3/c1-19(2)16-27-9-8-24(17-25,18-27)26-23(30)21(14-20-6-4-3-5-7-20)15-22(29)28-10-12-31-13-11-28/h19-21H,3-16,18H2,1-2H3,(H,26,30)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	53.3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair