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BDBM50138878 CHEMBL422686::[(S)-1-(Thiophen-2-ylmethyl)-aminooxalyl]-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)NCc1cccs1

InChI Key: InChIKey=LSAGAYCJHAMUPG-INIZCTEOSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138878   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50138878
PNG
(CHEMBL422686 | [(S)-1-(Thiophen-2-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-10-16(22-20(25)26-18(13(2)3)14(4)5)17(23)19(24)21-12-15-9-8-11-27-15/h8-9,11,13-14,16,18H,6-7,10,12H2,1-5H3,(H,21,24)(H,22,25)/t16-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 9.20n/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