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BDBM50138865 CHEMBL155148::[(S)-1-(2-Cyclobutyl-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)Nc1ccnn1C1CCC1

InChI Key: InChIKey=GMDSYOIQJYEGEH-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138865   
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))
BDBM50138865
PNG
(CHEMBL155148 | [(S)-1-(2-Cyclobutyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1
Show InChI InChI=1S/C22H36N4O4/c1-6-7-11-17(24-22(29)30-20(14(2)3)15(4)5)19(27)21(28)25-18-12-13-23-26(18)16-9-8-10-16/h12-17,20H,6-11H2,1-5H3,(H,24,29)(H,25,28)/t17-/m0/s1
PDB
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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)
BDBM50138865
PNG
(CHEMBL155148 | [(S)-1-(2-Cyclobutyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1
Show InChI InChI=1S/C22H36N4O4/c1-6-7-11-17(24-22(29)30-20(14(2)3)15(4)5)19(27)21(28)25-18-12-13-23-26(18)16-9-8-10-16/h12-17,20H,6-11H2,1-5H3,(H,24,29)(H,25,28)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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