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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50318881'   
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))
BDBM50318881
PNG
(CHEMBL1086008 | N-(1-((2S,3S)-2-ethyl-4-oxotetrahy...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H37N5O4S/c1-3-23-24(22(34)17-37-23)30-26(36)28(11-5-4-6-12-28)31-25(35)20-9-7-19(8-10-20)21-18-38-27(29-21)33-15-13-32(2)14-16-33/h7-10,18,23-24H,3-6,11-17H2,1-2H3,(H,30,36)(H,31,35)/t23-,24+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


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