BDBM50167294 (S)-2-(Cyano-methyl-amino)-propionic acid (S)-2-cyclohexyl-1-methyl-ethyl ester::CHEMBL189842

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

InChI Key: InChIKey=NITPHAADQHSKKD-RYUDHWBXSA-N

Data: 1 KI

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 = 50167294   

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 K (Homo sapiens (Human))	BDBM50167294 ((S)-2-(Cyano-methyl-amino)-propionic acid (S)-2-cy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)[C@H](C)N(C)C#N Show InChI InChI=1S/C14H24N2O2/c1-11(9-13-7-5-4-6-8-13)18-14(17)12(2)16(3)10-15/h11-13H,4-9H2,1-3H3/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair