BDBM50310677 (S)-2-amino-N-((S)-1-cyano-2-cyclohexylethyl)-3-(thiophen-2-yl)propanamide::CHEMBL1080602

SMILES: N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC1CCCCC1)C#N

InChI Key: InChIKey=YQQUNPLAHHFHOF-ZFWWWQNUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310677   

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
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50310677 ((S)-2-amino-N-((S)-1-cyano-2-cyclohexylethyl)-3-(t...) Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC1CCCCC1)C#N |r| Show InChI InChI=1S/C16H23N3OS/c17-11-13(9-12-5-2-1-3-6-12)19-16(20)15(18)10-14-7-4-8-21-14/h4,7-8,12-13,15H,1-3,5-6,9-10,18H2,(H,19,20)/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada& Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin C				Bioorg Med Chem Lett 19: 5392-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.114 BindingDB Entry DOI: 10.7270/Q298874W
					More data for this Ligand-Target Pair