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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138870'   
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))
BDBM50138870
PNG
(CHEMBL347004 | [(S)-1-(4-Cyano-1H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C#N
Show InChI InChI=1S/C19H29N5O4/c1-6-7-8-14(22-19(27)28-16(11(2)3)12(4)5)15(25)18(26)23-17-13(9-20)10-21-24-17/h10-12,14,16H,6-8H2,1-5H3,(H,22,27)(H2,21,23,24,26)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 0.910n/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