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6 similar compounds to monomer 50138871

Compile data set for download or QSAR
Wt: 366.4
BDBM50138868		Wt: 380.4
BDBM50138869		Wt: 442.5
BDBM50138879		Wt: 364.4
BDBM50154148		Wt: 440.5
BDBM50154149
Wt: 352.4
BDBM50154167

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50138868,50138869,50138879,50154148,50154149,50154167   
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


(Rattus norvegicus)		BDBM50138869
PNG
(CHEMBL154959 | [(S)-1-(4-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1
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n/an/a 5.5n/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
Cathepsin K


(Homo sapiens (Human))		BDBM50138868
PNG
(CHEMBL154862 | [(S)-1-(1H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C18H30N4O4/c1-6-7-8-13(15(23)17(24)21-14-9-10-19-22-14)20-18(25)26-16(11(2)3)12(4)5/h9-13,16H,6-8H2,1-5H3,(H,20,25)(H2,19,21,22,24)/t13-/m0/s1
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n/an/a 0.770n/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)		BDBM50138868
PNG
(CHEMBL154862 | [(S)-1-(1H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C18H30N4O4/c1-6-7-8-13(15(23)17(24)21-14-9-10-19-22-14)20-18(25)26-16(11(2)3)12(4)5/h9-13,16H,6-8H2,1-5H3,(H,20,25)(H2,19,21,22,24)/t13-/m0/s1
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n/an/a 13n/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
Cathepsin K


(Homo sapiens (Human))		BDBM50138879
PNG
(CHEMBL345982 | [(S)-1-(5-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-18(25-24(31)32-22(15(2)3)16(4)5)21(29)23(30)26-20-14-19(27-28-20)17-11-9-8-10-12-17/h8-12,14-16,18,22H,6-7,13H2,1-5H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
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n/an/a 0.650n/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))		BDBM50154167
PNG
(CHEMBL185533 | [1-(1H-Pyrazol-3-ylaminooxalyl)-pen...)
Show SMILES CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C17H28N4O4/c1-5-7-8-12(19-16(24)25-11-17(3,4)6-2)14(22)15(23)20-13-9-10-18-21-13/h9-10,12H,5-8,11H2,1-4H3,(H,19,24)(H2,18,20,21,23)/t12-/m0/s1
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n/an/a 1.60n/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)		BDBM50138879
PNG
(CHEMBL345982 | [(S)-1-(5-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-18(25-24(31)32-22(15(2)3)16(4)5)21(29)23(30)26-20-14-19(27-28-20)17-11-9-8-10-12-17/h8-12,14-16,18,22H,6-7,13H2,1-5H3,(H,25,31)(H2,26,27,28,30)/t18-/m0/s1
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n/an/a 12n/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
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))		BDBM50154148
PNG
(CHEMBL363949 | [1-(1H-Pyrazol-3-ylaminooxalyl)-pen...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C18H28N4O4/c1-3-5-7-13(15(23)16(24)21-14-8-11-19-22-14)20-17(25)26-12-18(4-2)9-6-10-18/h8,11,13H,3-7,9-10,12H2,1-2H3,(H,20,25)(H2,19,21,22,24)/t13-/m0/s1
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n/an/a 1.90n/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
Cathepsin K


(Homo sapiens (Human))		BDBM50138869
PNG
(CHEMBL154959 | [(S)-1-(4-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1
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n/an/a 0.470n/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