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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50318879'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50318879
PNG
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1
Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited, Inc

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin K


Bioorg Med Chem Lett 15: 1327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50318879
PNG
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1
Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10.1n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K at enzyme-substrate complex state


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair