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10 similar compounds to monomer 50121574

Compile data set for download or QSAR
Wt: 356.4
BDBM50039996
Wt: 281.3
BDBM50121579
Wt: 324.4
BDBM50121550
Wt: 296.3
BDBM50121563
Wt: 310.3
BDBM50121565
Wt: 338.4
BDBM50121568
Wt: 350.4
BDBM50121572
Wt: 324.4
BDBM50121577
Wt: 338.4
BDBM50121578
Wt: 348.4
BDBM50401768

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50039996,50121579,50121550,50121563,50121565,50121568,50121572,50121577,50121578,50401768   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain1/2


(Homo sapiens (Human))
BDBM50039996
PNG
(CHEMBL98950 | Morpholine-4-carboxylic acid [(S)-1-...)
Show SMILES CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
Show InChI InChI=1S/C17H32N4O4/c1-4-18-15(22)6-5-7-19-16(23)14(12-13(2)3)20-17(24)21-8-10-25-11-9-21/h13-14H,4-12H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)/t14-/m0/s1
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119n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine erythrocyte calpain 1.


J Med Chem 37: 2918-29 (1994)


Article DOI: 10.1021/jm00044a013
BindingDB Entry DOI: 10.7270/Q2BR8R64
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121563
PNG
(CHEMBL149736 | Morpholine-4-carboxylic acid {1-[(c...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C#N
Show InChI InChI=1S/C14H24N4O3/c1-10(2)8-12(13(19)16-11(3)9-15)17-14(20)18-4-6-21-7-5-18/h10-12H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121565
PNG
(CHEMBL345267 | Morpholine-4-carboxylic acid {1-[(c...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N
Show InChI InChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121568
PNG
(CHEMBL357117 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)(C)C
Show InChI InChI=1S/C17H30N4O3/c1-12(2)10-13(15(22)20-14(11-18)17(3,4)5)19-16(23)21-6-8-24-9-7-21/h12-14H,6-10H2,1-5H3,(H,19,23)(H,20,22)/t13-,14+/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121572
PNG
(CHEMBL150358 | Morpholine-4-carboxylic acid {1-[(c...)
Show SMILES CC(C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50401768
PNG
(CHEMBL2207560)
Show SMILES O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1/C18H28N4O3/c19-13-18(6-7-18)21-16(23)15(12-14-4-2-1-3-5-14)20-17(24)22-8-10-25-11-9-22/h14-15H,1-12H2,(H,20,24)(H,21,23)/t15-/s2
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells assessed as IL-2 level


Bioorg Med Chem Lett 22: 7189-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.054
BindingDB Entry DOI: 10.7270/Q2R212JH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121572
PNG
(CHEMBL150358 | Morpholine-4-carboxylic acid {1-[(c...)
Show SMILES CC(C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121579
PNG
(CHEMBL155102 | Morpholine-4-carboxylic acid (3-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#C
Show InChI InChI=1S/C14H23N3O3/c1-4-5-15-13(18)12(10-11(2)3)16-14(19)17-6-8-20-9-7-17/h1,11-12H,5-10H2,2-3H3,(H,15,18)(H,16,19)/t12-/m0/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121578
PNG
(CHEMBL435245 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50401768
PNG
(CHEMBL2207560)
Show SMILES O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1/C18H28N4O3/c19-13-18(6-7-18)21-16(23)15(12-14-4-2-1-3-5-14)20-17(24)22-8-10-25-11-9-22/h14-15H,1-12H2,(H,20,24)(H,21,23)/t15-/s2
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n/an/a 200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...


Bioorg Med Chem Lett 22: 7189-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.054
BindingDB Entry DOI: 10.7270/Q2R212JH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50401768
PNG
(CHEMBL2207560)
Show SMILES O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1/C18H28N4O3/c19-13-18(6-7-18)21-16(23)15(12-14-4-2-1-3-5-14)20-17(24)22-8-10-25-11-9-22/h14-15H,1-12H2,(H,20,24)(H,21,23)/t15-/s2
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n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...


Bioorg Med Chem Lett 22: 7189-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.054
BindingDB Entry DOI: 10.7270/Q2R212JH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121550
PNG
(CHEMBL153166 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121577
PNG
(CHEMBL149687 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)C
Show InChI InChI=1S/C16H28N4O3/c1-11(2)9-13(15(21)18-14(10-17)12(3)4)19-16(22)20-5-7-23-8-6-20/h11-14H,5-9H2,1-4H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus


J Med Chem 45: 5471-82 (2002)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair