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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138854'   
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))
BDBM50138854
PNG
(CHEMBL345356 | [(S)-1-(2-Phenyl-2H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-19(26-24(31)32-22(16(2)3)17(4)5)21(29)23(30)27-20-14-15-25-28(20)18-11-9-8-10-12-18/h8-12,14-17,19,22H,6-7,13H2,1-5H3,(H,26,31)(H,27,30)/t19-/m0/s1
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PC cid
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Article
PubMed
n/an/a 15n/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)
BDBM50138854
PNG
(CHEMBL345356 | [(S)-1-(2-Phenyl-2H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-19(26-24(31)32-22(16(2)3)17(4)5)21(29)23(30)27-20-14-15-25-28(20)18-11-9-8-10-12-18/h8-12,14-17,19,22H,6-7,13H2,1-5H3,(H,26,31)(H,27,30)/t19-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 790n/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