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BDBM50138843 CHEMBL351552::{(S)-1-Cyclohexylmethyl-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](CC1CCCCC1)C(=O)C(=O)NCc1cccs1)C(C)C

InChI Key: InChIKey=OYZIOIXOBKMGNB-IBGZPJMESA-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 = 50138843   
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))
BDBM50138843
PNG
(CHEMBL351552 | {(S)-1-Cyclohexylmethyl-2-oxo-2-[(t...)
Show SMILES CC(C)C(OC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C23H36N2O4S/c1-15(2)21(16(3)4)29-23(28)25-19(13-17-9-6-5-7-10-17)20(26)22(27)24-14-18-11-8-12-30-18/h8,11-12,15-17,19,21H,5-7,9-10,13-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
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Article
PubMed
n/an/a 14n/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