BindingDB logo
myBDB logout

BDBM50139491 ((S)-1-Phenylaminooxalyl-pentyl)-carbamic acid tert-butyl ester::(S)-tert-butyl 1,2-dioxo-1-(phenylamino)heptan-3-ylcarbamate::CHEMBL164535

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=PKXJEJYKOSJWIQ-AWEZNQCLSA-N

Data: 2 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 2 hits for monomerid = 50139491   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50139491
PNG
(((S)-1-Phenylaminooxalyl-pentyl)-carbamic acid ter...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-5-6-12-14(20-17(23)24-18(2,3)4)15(21)16(22)19-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Eur J Med Chem 45: 667-81 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.010
BindingDB Entry DOI: 10.7270/Q29C6ZP1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50139491
PNG
(((S)-1-Phenylaminooxalyl-pentyl)-carbamic acid ter...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-5-6-12-14(20-17(23)24-18(2,3)4)15(21)16(22)19-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin K


Bioorg Med Chem Lett 14: 719-22 (2004)


BindingDB Entry DOI: 10.7270/Q2QV3KX1
More data for this
Ligand-Target Pair