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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50096398'   
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))
BDBM50096398
PNG
(CHEMBL303555 | Naphthalene-2-carboxylic acid [(S)-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CCOCC1=O
Show InChI InChI=1S/C22H26N2O4/c1-14(2)11-19(22(27)23-18-9-10-28-13-20(18)25)24-21(26)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t18?,19-/m0/s1
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PC cid
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32n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


Bioorg Med Chem Lett 11: 199-202 (2001)


BindingDB Entry DOI: 10.7270/Q2TX3DMJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50096398
PNG
(CHEMBL303555 | Naphthalene-2-carboxylic acid [(S)-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CCOCC1=O
Show InChI InChI=1S/C22H26N2O4/c1-14(2)11-19(22(27)23-18-9-10-28-13-20(18)25)24-21(26)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
32n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


Bioorg Med Chem Lett 11: 199-202 (2001)


BindingDB Entry DOI: 10.7270/Q2TX3DMJ
More data for this
Ligand-Target Pair