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2 similar compounds to monomer 50138867

Compile data set for download or QSAR
Wt: 442.5
BDBM50138854
Wt: 440.5
BDBM50154176

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50138854,50154176   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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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


(Homo sapiens (Human))
BDBM50154176
PNG
(CHEMBL183252 | [1-(2-Phenyl-2H-pyrazol-3-ylaminoox...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C24H32N4O4/c1-3-5-12-19(26-23(31)32-17-24(4-2)14-9-15-24)21(29)22(30)27-20-13-16-25-28(20)18-10-7-6-8-11-18/h6-8,10-11,13,16,19H,3-5,9,12,14-15,17H2,1-2H3,(H,26,31)(H,27,30)/t19-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory potency against human Cathepsin K


J Med Chem 47: 5049-56 (2004)


Article DOI: 10.1021/jm0400799
BindingDB Entry DOI: 10.7270/Q27H1J39
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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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