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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138866'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50138866
PNG
(CHEMBL156764 | [(S)-1-(1-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(12(2)3)13(4)5)16(24)18(25)21-15-10-11-23(6)22-15/h10-14,17H,7-9H2,1-6H3,(H,20,26)(H,21,22,25)/t14-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.410n/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)
BDBM50138866
PNG
(CHEMBL156764 | [(S)-1-(1-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(12(2)3)13(4)5)16(24)18(25)21-15-10-11-23(6)22-15/h10-14,17H,7-9H2,1-6H3,(H,20,26)(H,21,22,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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