BDBM50137816 ((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-butyl ester::CHEMBL92567::TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE

SMILES: CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1

InChI Key: InChIKey=BDSGOSWEKUGHOV-LLVKDONJSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50137816   

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))	BDBM50137816 (((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (human))	BDBM50137816 (((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibiory activity against recombinant human cathepsin K				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)