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BDBM50138855 CHEMBL345136::[(S)-1-(2-Ethyl-2H-pyrazol-3-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)Nc1ccnn1CC

InChI Key: InChIKey=VNRABGXFPXVNIF-HNNXBMFYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138855   
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))
BDBM50138855
PNG
(CHEMBL345136 | [(S)-1-(2-Ethyl-2H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC
Show InChI InChI=1S/C20H34N4O4/c1-7-9-10-15(22-20(27)28-18(13(3)4)14(5)6)17(25)19(26)23-16-11-12-21-24(16)8-2/h11-15,18H,7-10H2,1-6H3,(H,22,27)(H,23,26)/t15-/m0/s1
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MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/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
Cathepsin K


(Rattus norvegicus)
BDBM50138855
PNG
(CHEMBL345136 | [(S)-1-(2-Ethyl-2H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC
Show InChI InChI=1S/C20H34N4O4/c1-7-9-10-15(22-20(27)28-18(13(3)4)14(5)6)17(25)19(26)23-16-11-12-21-24(16)8-2/h11-15,18H,7-10H2,1-6H3,(H,22,27)(H,23,26)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cystiene protease cathepsin K of rat


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