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BDBM50138873 CHEMBL433890::{(S)-1-Methyl-2-oxo-2-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl}-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CC(C)C(OC(=O)N[C@@H](C)C(=O)C(=O)NCc1cccs1)C(C)C

InChI Key: InChIKey=WURMWVFVZOJZQZ-LBPRGKRZSA-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 = 50138873   
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))
BDBM50138873
PNG
(CHEMBL433890 | {(S)-1-Methyl-2-oxo-2-[(thiophen-2-...)
Show SMILES CC(C)C(OC(=O)N[C@@H](C)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C17H26N2O4S/c1-10(2)15(11(3)4)23-17(22)19-12(5)14(20)16(21)18-9-13-7-6-8-24-13/h6-8,10-12,15H,9H2,1-5H3,(H,18,21)(H,19,22)/t12-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 360n/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