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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50014159   
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))
BDBM50138858
PNG
(CHEMBL154579 | [(S)-1-(4-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-19(26-24(31)32-21(15(2)3)16(4)5)20(29)23(30)27-22-18(14-25-28-22)17-11-9-8-10-12-17/h8-12,14-16,19,21H,6-7,13H2,1-5H3,(H,26,31)(H2,25,27,28,30)/t19-/m0/s1
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n/an/a 0.210n/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))
BDBM50138853
PNG
(CHEMBL157072 | [(S)-1-(4-Bromo-1H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1Br
Show InChI InChI=1S/C18H29BrN4O4/c1-6-7-8-13(21-18(26)27-15(10(2)3)11(4)5)14(24)17(25)22-16-12(19)9-20-23-16/h9-11,13,15H,6-8H2,1-5H3,(H,21,26)(H2,20,22,23,25)/t13-/m0/s1
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n/an/a 0.240n/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))
BDBM50138876
PNG
(CHEMBL345569 | [(S)-1-(4-Fluoro-1H-indazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]nc2cccc(F)c12
Show InChI InChI=1S/C22H31FN4O4/c1-6-7-10-16(24-22(30)31-19(12(2)3)13(4)5)18(28)21(29)25-20-17-14(23)9-8-11-15(17)26-27-20/h8-9,11-13,16,19H,6-7,10H2,1-5H3,(H,24,30)(H2,25,26,27,29)/t16-/m0/s1
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n/an/a 0.260n/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))
BDBM50138866
PNG
(CHEMBL156764 | [(S)-1-(1-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(12(2)3)13(4)5)16(24)18(25)21-15-10-11-23(6)22-15/h10-14,17H,7-9H2,1-6H3,(H,20,26)(H,21,22,25)/t14-/m0/s1
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n/an/a 0.410n/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))
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
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))
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))
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


(Homo sapiens (Human))
BDBM50138870
PNG
(CHEMBL347004 | [(S)-1-(4-Cyano-1H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C#N
Show InChI InChI=1S/C19H29N5O4/c1-6-7-8-14(22-19(27)28-16(11(2)3)12(4)5)15(25)18(26)23-17-13(9-20)10-21-24-17/h10-12,14,16H,6-8H2,1-5H3,(H,22,27)(H2,21,23,24,26)/t14-/m0/s1
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n/an/a 0.910n/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))
BDBM50138846
PNG
(3-[(S)-3-(1-Isopropyl-2-methyl-propoxycarbonylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C(=O)OCC
Show InChI InChI=1S/C21H34N4O6/c1-7-9-10-15(23-21(29)31-17(12(3)4)13(5)6)16(26)19(27)24-18-14(11-22-25-18)20(28)30-8-2/h11-13,15,17H,7-10H2,1-6H3,(H,23,29)(H2,22,24,25,27)/t15-/m0/s1
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n/an/a 1.70n/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)
BDBM50138858
PNG
(CHEMBL154579 | [(S)-1-(4-Phenyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1-c1ccccc1
Show InChI InChI=1S/C24H34N4O4/c1-6-7-13-19(26-24(31)32-21(15(2)3)16(4)5)20(29)23(30)27-22-18(14-25-28-22)17-11-9-8-10-12-17/h8-12,14-16,19,21H,6-7,13H2,1-5H3,(H,26,31)(H2,25,27,28,30)/t19-/m0/s1
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n/an/a 1.80n/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))
BDBM50138842
PNG
(2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1
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n/an/a 2.54n/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))
BDBM50138864
PNG
(CHEMBL351111 | [(S)-1-(Isoquinolin-3-ylaminooxalyl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc2ccccc2cn1
Show InChI InChI=1S/C24H33N3O4/c1-6-7-12-19(26-24(30)31-22(15(2)3)16(4)5)21(28)23(29)27-20-13-17-10-8-9-11-18(17)14-25-20/h8-11,13-16,19,22H,6-7,12H2,1-5H3,(H,26,30)(H,25,27,29)/t19-/m0/s1
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n/an/a 4.80n/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))
BDBM50138852
PNG
(CHEMBL356378 | [(S)-1-(Isoxazol-3-ylaminooxalyl)-p...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccon1
Show InChI InChI=1S/C18H29N3O5/c1-6-7-8-13(15(22)17(23)20-14-9-10-25-21-14)19-18(24)26-16(11(2)3)12(4)5/h9-13,16H,6-8H2,1-5H3,(H,19,24)(H,20,21,23)/t13-/m0/s1
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n/an/a 5.10n/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)
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))
BDBM50138878
PNG
(CHEMBL422686 | [(S)-1-(Thiophen-2-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-10-16(22-20(25)26-18(13(2)3)14(4)5)17(23)19(24)21-12-15-9-8-11-27-15/h8-9,11,13-14,16,18H,6-7,10,12H2,1-5H3,(H,21,24)(H,22,25)/t16-/m0/s1
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n/an/a 9.20n/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)
BDBM50138866
PNG
(CHEMBL156764 | [(S)-1-(1-Methyl-1H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(12(2)3)13(4)5)16(24)18(25)21-15-10-11-23(6)22-15/h10-14,17H,7-9H2,1-6H3,(H,20,26)(H,21,22,25)/t14-/m0/s1
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n/an/a 11n/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


(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


(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))
BDBM50138843
PNG
(CHEMBL351552 | {(S)-1-Cyclohexylmethyl-2-oxo-2-[(t...)
Show SMILES CC(C)C(OC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C23H36N2O4S/c1-15(2)21(16(3)4)29-23(28)25-19(13-17-9-6-5-7-10-17)20(26)22(27)24-14-18-11-8-12-30-18/h8,11-12,15-17,19,21H,5-7,9-10,13-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
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n/an/a 14n/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))
BDBM50138865
PNG
(CHEMBL155148 | [(S)-1-(2-Cyclobutyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1
Show InChI InChI=1S/C22H36N4O4/c1-6-7-11-17(24-22(29)30-20(14(2)3)15(4)5)19(27)21(28)25-18-12-13-23-26(18)16-9-8-10-16/h12-17,20H,6-11H2,1-5H3,(H,24,29)(H,25,28)/t17-/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))
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))
BDBM50138849
PNG
(CHEMBL157224 | [(S)-1-(2-Isopropyl-2H-pyrazol-3-yl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C(C)C
Show InChI InChI=1S/C21H36N4O4/c1-8-9-10-16(23-21(28)29-19(13(2)3)14(4)5)18(26)20(27)24-17-11-12-22-25(17)15(6)7/h11-16,19H,8-10H2,1-7H3,(H,23,28)(H,24,27)/t16-/m0/s1
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n/an/a 17n/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))
BDBM50138847
PNG
(CHEMBL155123 | [(S)-1-(2-Cyclopentyl-2H-pyrazol-3-...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCCC1
Show InChI InChI=1S/C23H38N4O4/c1-6-7-12-18(25-23(30)31-21(15(2)3)16(4)5)20(28)22(29)26-19-13-14-24-27(19)17-10-8-9-11-17/h13-18,21H,6-12H2,1-5H3,(H,25,30)(H,26,29)/t18-/m0/s1
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n/an/a 20n/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))
BDBM50138877
PNG
(CHEMBL346102 | [(S)-1-(2-Cyclohexyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCCCC1
Show InChI InChI=1S/C24H40N4O4/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/h14-19,22H,6-13H2,1-5H3,(H,26,31)(H,27,30)/t19-/m0/s1
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n/an/a 22n/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))
BDBM50138859
PNG
(CHEMBL157430 | [(S)-3-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-12(2)10-16(22-20(25)26-18(13(3)4)14(5)6)17(23)19(24)21-11-15-8-7-9-27-15/h7-9,12-14,16,18H,10-11H2,1-6H3,(H,21,24)(H,22,25)/t16-/m0/s1
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n/an/a 24n/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))
BDBM50138867
PNG
(CHEMBL157911 | [(S)-1-(2-Pyridin-4-yl-2H-pyrazol-3...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccncc1
Show InChI InChI=1S/C23H33N5O4/c1-6-7-8-18(26-23(31)32-21(15(2)3)16(4)5)20(29)22(30)27-19-11-14-25-28(19)17-9-12-24-13-10-17/h9-16,18,21H,6-8H2,1-5H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 25n/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))
BDBM50138855
PNG
(CHEMBL345136 | [(S)-1-(2-Ethyl-2H-pyrazol-3-ylamin...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC
Show InChI InChI=1S/C20H34N4O4/c1-7-9-10-15(22-20(27)28-18(13(3)4)14(5)6)17(25)19(26)23-16-11-12-21-24(16)8-2/h11-15,18H,7-10H2,1-6H3,(H,22,27)(H,23,26)/t15-/m0/s1
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n/an/a 26n/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))
BDBM50138848
PNG
(CHEMBL155592 | [(S)-1-(2-Cyclopropylmethyl-2H-pyra...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC1CC1
Show InChI InChI=1S/C22H36N4O4/c1-6-7-8-17(24-22(29)30-20(14(2)3)15(4)5)19(27)21(28)25-18-11-12-23-26(18)13-16-9-10-16/h11-12,14-17,20H,6-10,13H2,1-5H3,(H,24,29)(H,25,28)/t17-/m0/s1
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n/an/a 27n/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))
BDBM50138875
PNG
(CHEMBL152634 | {(S)-1-Benzyl-2-oxo-2-[(thiophen-2-...)
Show SMILES CC(C)C(OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C23H30N2O4S/c1-15(2)21(16(3)4)29-23(28)25-19(13-17-9-6-5-7-10-17)20(26)22(27)24-14-18-11-8-12-30-18/h5-12,15-16,19,21H,13-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
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n/an/a 27n/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))
BDBM50138851
PNG
(CHEMBL152633 | [(S)-1-(2-Methyl-2H-pyrazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C
Show InChI InChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-17(12(2)3)13(4)5)16(24)18(25)22-15-10-11-20-23(15)6/h10-14,17H,7-9H2,1-6H3,(H,21,26)(H,22,25)/t14-/m0/s1
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n/an/a 32n/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))
BDBM50138841
PNG
(CHEMBL154584 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C20H31N3O4/c1-6-7-10-15(22-20(26)27-18(13(2)3)14(4)5)17(24)19(25)23-16-11-8-9-12-21-16/h8-9,11-15,18H,6-7,10H2,1-5H3,(H,22,26)(H,21,23,25)/t15-/m0/s1
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n/an/a 32n/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))
BDBM50138872
PNG
(CHEMBL346739 | [(S)-1-(2-Isobutyl-2H-pyrazol-3-yla...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC(C)C
Show InChI InChI=1S/C22H38N4O4/c1-8-9-10-17(24-22(29)30-20(15(4)5)16(6)7)19(27)21(28)25-18-11-12-23-26(18)13-14(2)3/h11-12,14-17,20H,8-10,13H2,1-7H3,(H,24,29)(H,25,28)/t17-/m0/s1
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n/an/a 39n/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))
BDBM50138874
PNG
(CHEMBL156497 | [(S)-1-(Thiazol-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H29N3O4S/c1-6-7-8-13(14(22)16(23)21-17-19-9-10-26-17)20-18(24)25-15(11(2)3)12(4)5/h9-13,15H,6-8H2,1-5H3,(H,20,24)(H,19,21,23)/t13-/m0/s1
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n/an/a 40n/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))
BDBM50138860
PNG
(CHEMBL156832 | [(S)-2-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CC(C)C(OC(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C19H30N2O4S/c1-11(2)15(21-19(24)25-17(12(3)4)13(5)6)16(22)18(23)20-10-14-8-7-9-26-14/h7-9,11-13,15,17H,10H2,1-6H3,(H,20,23)(H,21,24)/t15-/m0/s1
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n/an/a 47n/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))
BDBM50137790
PNG
(((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a 51n/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))
BDBM50138845
PNG
(CHEMBL154173 | [(S)-1-(Pyrazin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cnccn1
Show InChI InChI=1S/C19H30N4O4/c1-6-7-8-14(22-19(26)27-17(12(2)3)13(4)5)16(24)18(25)23-15-11-20-9-10-21-15/h9-14,17H,6-8H2,1-5H3,(H,22,26)(H,21,23,25)/t14-/m0/s1
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n/an/a 52n/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))
BDBM50138844
PNG
(CHEMBL155183 | {(S)-1-[2-(3,3-Dimethyl-butyl)-2H-p...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CCC(C)(C)C
Show InChI InChI=1S/C24H42N4O4/c1-9-10-11-18(26-23(31)32-21(16(2)3)17(4)5)20(29)22(30)27-19-12-14-25-28(19)15-13-24(6,7)8/h12,14,16-18,21H,9-11,13,15H2,1-8H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 62n/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))
BDBM50138850
PNG
(CHEMBL155297 | [(S)-1-(2-Pyridin-2-yl-2H-pyrazol-3...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccccn1
Show InChI InChI=1S/C23H33N5O4/c1-6-7-10-17(26-23(31)32-21(15(2)3)16(4)5)20(29)22(30)27-19-12-14-25-28(19)18-11-8-9-13-24-18/h8-9,11-17,21H,6-7,10H2,1-5H3,(H,26,31)(H,27,30)/t17-/m0/s1
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n/an/a 62n/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))
BDBM50138861
PNG
(CHEMBL156496 | [(S)-1-([1,3,4]Thiadiazol-2-ylamino...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1nncs1
Show InChI InChI=1S/C17H28N4O4S/c1-6-7-8-12(13(22)15(23)20-16-21-18-9-26-16)19-17(24)25-14(10(2)3)11(4)5/h9-12,14H,6-8H2,1-5H3,(H,19,24)(H,20,21,23)/t12-/m0/s1
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n/an/a 83n/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))
BDBM50138857
PNG
(CHEMBL347137 | [(S)-2-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-7-14(6)16(22-20(25)26-18(12(2)3)13(4)5)17(23)19(24)21-11-15-9-8-10-27-15/h8-10,12-14,16,18H,7,11H2,1-6H3,(H,21,24)(H,22,25)/t14?,16-/m0/s1
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n/an/a 87n/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))
BDBM50138863
PNG
(CHEMBL156677 | [(S)-1-(Pyridin-3-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H31N3O4/c1-6-7-10-16(23-20(26)27-18(13(2)3)14(4)5)17(24)19(25)22-15-9-8-11-21-12-15/h8-9,11-14,16,18H,6-7,10H2,1-5H3,(H,22,25)(H,23,26)/t16-/m0/s1
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n/an/a 95n/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))
BDBM50138862
PNG
(CHEMBL153943 | [(S)-1-(Quinolin-2-ylaminooxalyl)-p...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C24H33N3O4/c1-6-7-11-19(26-24(30)31-22(15(2)3)16(4)5)21(28)23(29)27-20-14-13-17-10-8-9-12-18(17)25-20/h8-10,12-16,19,22H,6-7,11H2,1-5H3,(H,26,30)(H,25,27,29)/t19-/m0/s1
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n/an/a 250n/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))
BDBM50138873
PNG
(CHEMBL433890 | {(S)-1-Methyl-2-oxo-2-[(thiophen-2-...)
Show SMILES CC(C)C(OC(=O)N[C@@H](C)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C17H26N2O4S/c1-10(2)15(11(3)4)23-17(22)19-12(5)14(20)16(21)18-9-13-7-6-8-24-13/h6-8,10-12,15H,9H2,1-5H3,(H,18,21)(H,19,22)/t12-/m0/s1
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n/an/a 360n/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)
BDBM50138867
PNG
(CHEMBL157911 | [(S)-1-(2-Pyridin-4-yl-2H-pyrazol-3...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccncc1
Show InChI InChI=1S/C23H33N5O4/c1-6-7-8-18(26-23(31)32-21(15(2)3)16(4)5)20(29)22(30)27-19-11-14-25-28(19)17-9-12-24-13-10-17/h9-16,18,21H,6-8H2,1-5H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 470n/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


(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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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
Cathepsin K


(Rattus norvegicus)
BDBM50138849
PNG
(CHEMBL157224 | [(S)-1-(2-Isopropyl-2H-pyrazol-3-yl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C(C)C
Show InChI InChI=1S/C21H36N4O4/c1-8-9-10-16(23-21(28)29-19(13(2)3)14(4)5)18(26)20(27)24-17-11-12-22-25(17)15(6)7/h11-16,19H,8-10H2,1-7H3,(H,23,28)(H,24,27)/t16-/m0/s1
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n/an/a 1.00E+3n/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


(Rattus norvegicus)
BDBM50138847
PNG
(CHEMBL155123 | [(S)-1-(2-Cyclopentyl-2H-pyrazol-3-...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCCC1
Show InChI InChI=1S/C23H38N4O4/c1-6-7-12-18(25-23(30)31-21(15(2)3)16(4)5)20(28)22(29)26-19-13-14-24-27(19)17-10-8-9-11-17/h13-18,21H,6-12H2,1-5H3,(H,25,30)(H,26,29)/t18-/m0/s1
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n/an/a 1.10E+3n/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


(Rattus norvegicus)
BDBM50138865
PNG
(CHEMBL155148 | [(S)-1-(2-Cyclobutyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1
Show InChI InChI=1S/C22H36N4O4/c1-6-7-11-17(24-22(29)30-20(14(2)3)15(4)5)19(27)21(28)25-18-12-13-23-26(18)16-9-8-10-16/h12-17,20H,6-11H2,1-5H3,(H,24,29)(H,25,28)/t17-/m0/s1
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n/an/a 1.10E+3n/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


(Rattus norvegicus)
BDBM50138877
PNG
(CHEMBL346102 | [(S)-1-(2-Cyclohexyl-2H-pyrazol-3-y...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCCCC1
Show InChI InChI=1S/C24H40N4O4/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/h14-19,22H,6-13H2,1-5H3,(H,26,31)(H,27,30)/t19-/m0/s1
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n/an/a>1.20E+3n/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
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