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.
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 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 antibodypedia GoogleScholar
| 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)
Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774 |
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 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 antibodypedia GoogleScholar
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibiory activity against recombinant human cathepsin K |
Bioorg Med Chem Lett 14: 275-8 (2003)
Article DOI: 10.1016/j.bmcl.2003.09.088 BindingDB Entry DOI: 10.7270/Q2GM86PN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |