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4 similar compounds to monomer 50138879

Compile data set for download or QSAR
Wt: 380.4
BDBM50138871		Wt: 440.5
BDBM50154149		Wt: 442.5
BDBM50154168		Wt: 454.5
BDBM50154171

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50138871,50154149,50154168,50154171   
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))		BDBM50138871
PNG
(CHEMBL154818 | [(S)-1-(5-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(C)n[nH]1
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(11(2)3)12(4)5)16(24)18(25)21-15-10-13(6)22-23-15/h10-12,14,17H,7-9H2,1-6H3,(H,20,26)(H2,21,22,23,25)/t14-/m0/s1
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n/an/a 0.710n/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))		BDBM50154149
PNG
(CHEMBL183632 | [1-(5-Phenyl-1H-pyrazol-3-ylaminoox...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H32N4O4/c1-3-5-12-18(25-23(31)32-16-24(4-2)13-9-14-24)21(29)22(30)26-20-15-19(27-28-20)17-10-7-6-8-11-17/h6-8,10-11,15,18H,3-5,9,12-14,16H2,1-2H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
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n/an/a 17n/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


(Homo sapiens (Human))		BDBM50154171
PNG
(CHEMBL184727 | [1-(5-Phenyl-1H-pyrazol-3-ylaminoox...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H34N4O4/c1-3-5-13-19(26-24(32)33-17-25(4-2)14-9-10-15-25)22(30)23(31)27-21-16-20(28-29-21)18-11-7-6-8-12-18/h6-8,11-12,16,19H,3-5,9-10,13-15,17H2,1-2H3,(H,26,32)(H2,27,28,29,31)/t19-/m0/s1
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n/an/a 22n/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


(Homo sapiens (Human))		BDBM50154168
PNG
(CHEMBL182516 | [1-(5-Phenyl-1H-pyrazol-3-ylaminoox...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)COC1)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H30N4O5/c1-3-5-11-17(24-22(30)32-15-23(4-2)13-31-14-23)20(28)21(29)25-19-12-18(26-27-19)16-9-7-6-8-10-16/h6-10,12,17H,3-5,11,13-15H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t17-/m0/s1
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n/an/a 10n/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


(Homo sapiens (Human))		BDBM50154149
PNG
(CHEMBL183632 | [1-(5-Phenyl-1H-pyrazol-3-ylaminoox...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H32N4O4/c1-3-5-12-18(25-23(31)32-16-24(4-2)13-9-14-24)21(29)22(30)26-20-15-19(27-28-20)17-10-7-6-8-11-17/h6-8,10-11,15,18H,3-5,9,12-14,16H2,1-2H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
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n/an/a 6.20n/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