BindingDB logo
myBDB logout

BDBM50138845 CHEMBL154173::[(S)-1-(Pyrazin-2-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cnccn1

InChI Key: InChIKey=LWHRECFBLAALOV-AWEZNQCLSA-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 = 50138845   
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))
BDBM50138845
PNG
(CHEMBL154173 | [(S)-1-(Pyrazin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cnccn1
Show InChI InChI=1S/C19H30N4O4/c1-6-7-8-14(22-19(26)27-17(12(2)3)13(4)5)16(24)18(25)23-15-11-20-9-10-21-15/h9-14,17H,6-8H2,1-5H3,(H,22,26)(H,21,23,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human


J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair