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BDBM50138879 CHEMBL345982::[(S)-1-(5-Phenyl-1H-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)Nc1cc(n[nH]1)-c1ccccc1

InChI Key: InChIKey=DCSWPRCIUSJRHW-SFHVURJKSA-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 = 50138879   
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


(Rattus norvegicus)
BDBM50138879
PNG
(CHEMBL345982 | [(S)-1-(5-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-18(25-24(31)32-22(15(2)3)16(4)5)21(29)23(30)26-20-14-19(27-28-20)17-11-9-8-10-12-17/h8-12,14-16,18,22H,6-7,13H2,1-5H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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
Cathepsin K


(Homo sapiens (Human))
BDBM50138879
PNG
(CHEMBL345982 | [(S)-1-(5-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-18(25-24(31)32-22(15(2)3)16(4)5)21(29)23(30)26-20-14-19(27-28-20)17-11-9-8-10-12-17/h8-12,14-16,18,22H,6-7,13H2,1-5H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.650n/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