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13 similar compounds to monomer 50138869

Compile data set for download or QSAR
Wt: 438.5
BDBM50138846
Wt: 380.4
BDBM50138851
Wt: 445.3
BDBM50138853
Wt: 442.5
BDBM50138858
Wt: 380.4
BDBM50138866
Wt: 366.4
BDBM50138868
Wt: 391.4
BDBM50138870
Wt: 380.4
BDBM50138871
Wt: 364.4
BDBM50154148
Wt: 392.4
BDBM50154156
Wt: 378.4
BDBM50154165
Wt: 352.4
BDBM50154167
Wt: 366.4
BDBM50154173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50138846,50138851,50138853,50138858,50138866,50138868,50138870,50138871,50154148,50154156,50154165,50154167,50154173   
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))
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


(Homo sapiens (Human))
BDBM50154173
PNG
(CHEMBL360632 | [1-(1H-Pyrazol-3-ylaminooxalyl)-pen...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)COC1)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C17H26N4O5/c1-3-5-6-12(14(22)15(23)20-13-7-8-18-21-13)19-16(24)26-11-17(4-2)9-25-10-17/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,24)(H2,18,20,21,23)/t12-/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))
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


(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))
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


(Rattus norvegicus)
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 1.70E+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


(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))
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


(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


(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


(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))
BDBM50154156
PNG
(CHEMBL360863 | [1-(1H-Pyrazol-3-ylaminooxalyl)-pen...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCCCC1)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C20H32N4O4/c1-3-5-9-15(17(25)18(26)23-16-10-13-21-24-16)22-19(27)28-14-20(4-2)11-7-6-8-12-20/h10,13,15H,3-9,11-12,14H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t15-/m0/s1
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n/an/a 18n/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))
BDBM50154165
PNG
(CHEMBL424982 | [1-(1H-Pyrazol-3-ylaminooxalyl)-pen...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C19H30N4O4/c1-3-5-8-14(16(24)17(25)22-15-9-12-20-23-15)21-18(26)27-13-19(4-2)10-6-7-11-19/h9,12,14H,3-8,10-11,13H2,1-2H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1
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n/an/a 1.80n/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))
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


(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