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14 similar compounds to monomer 50121570

Compile data set for download or QSAR
Wt: 375.5
BDBM50121580
Wt: 372.4
BDBM50121547
Wt: 386.4
BDBM50121551
Wt: 420.5
BDBM50121552
Wt: 400.5
BDBM50121553
Wt: 361.4
BDBM50121555
Wt: 400.5
BDBM50121556
Wt: 344.4
BDBM50121559
Wt: 412.5
BDBM50121560
Wt: 426.5
BDBM50121562
Wt: 386.4
BDBM50121564
Wt: 372.4
BDBM50121567
Wt: 386.4
BDBM50121571
Wt: 400.5
BDBM50121573

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50121580,50121547,50121551,50121552,50121553,50121555,50121556,50121559,50121560,50121562,50121564,50121567,50121571,50121573   
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
Cathepsin S


(Homo sapiens (Human))
BDBM50121547
PNG
(CHEMBL154808 | Morpholine-4-carboxylic acid {1-[(b...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C20H28N4O3/c1-15(2)12-18(23-20(26)24-8-10-27-11-9-24)19(25)22-17(14-21)13-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
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n/an/a 130n/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))
BDBM50121560
PNG
(CHEMBL345502 | Morpholine-4-carboxylic acid [(1-cy...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C23H32N4O3/c24-17-20(12-11-18-7-3-1-4-8-18)25-22(28)21(19-9-5-2-6-10-19)26-23(29)27-13-15-30-16-14-27/h1,3-4,7-8,19-21H,2,5-6,9-16H2,(H,25,28)(H,26,29)/t20-,21-/m0/s1
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n/an/a 84n/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))
BDBM50121552
PNG
(CHEMBL356669 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
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n/an/an/a 60n/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))
BDBM50121553
PNG
(CHEMBL358695 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)CC#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)16-20(25-22(28)26-12-14-29-15-13-26)21(27)24-19(10-11-23)9-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-10,12-16H2,1-2H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1
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n/an/an/a>2.00E+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))
BDBM50121555
PNG
(CHEMBL434893 | Morpholine-4-carboxylic acid [3-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H31N3O3/c1-16(2)15-18(22-20(25)23-11-13-26-14-12-23)19(24)21-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
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n/an/a>2.80E+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))
BDBM50121547
PNG
(CHEMBL154808 | Morpholine-4-carboxylic acid {1-[(b...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C20H28N4O3/c1-15(2)12-18(23-20(26)24-8-10-27-11-9-24)19(25)22-17(14-21)13-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
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n/an/an/a 63n/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))
BDBM50121556
PNG
(CHEMBL358704 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@](C)(NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)15-22(3,25-21(28)26-11-13-29-14-12-26)20(27)24-19(16-23)10-9-18-7-5-4-6-8-18/h4-8,17,19H,9-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,22-/m0/s1
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n/an/a 7.60E+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))
BDBM50121560
PNG
(CHEMBL345502 | Morpholine-4-carboxylic acid [(1-cy...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C23H32N4O3/c24-17-20(12-11-18-7-3-1-4-8-18)25-22(28)21(19-9-5-2-6-10-19)26-23(29)27-13-15-30-16-14-27/h1,3-4,7-8,19-21H,2,5-6,9-16H2,(H,25,28)(H,26,29)/t20-,21-/m0/s1
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n/an/an/a 5n/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))
BDBM50121559
PNG
(CHEMBL356588 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C18H24N4O3/c1-14(20-18(24)22-9-11-25-12-10-22)17(23)21-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1
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n/an/a 1.34E+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))
BDBM50121562
PNG
(CHEMBL153239 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H34N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1,3-4,7-8,20-22H,2,5-6,9-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
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n/an/an/a 0.800n/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))
BDBM50121564
PNG
(CHEMBL153678 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C21H30N4O3/c1-16(2)14-19(24-21(27)25-10-12-28-13-11-25)20(26)23-18(15-22)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1
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n/an/an/a 7n/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))
BDBM50121567
PNG
(CHEMBL357816 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C20H28N4O3/c1-15(2)18(23-20(26)24-10-12-27-13-11-24)19(25)22-17(14-21)9-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
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n/an/a 6.00E+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
Cathepsin S


(Homo sapiens (Human))
BDBM50121564
PNG
(CHEMBL153678 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C21H30N4O3/c1-16(2)14-19(24-21(27)25-10-12-28-13-11-25)20(26)23-18(15-22)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1
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n/an/a 47n/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))
BDBM50121562
PNG
(CHEMBL153239 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H34N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1,3-4,7-8,20-22H,2,5-6,9-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
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n/an/a 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))
BDBM50121573
PNG
(CHEMBL358829 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)8-11-20(25-22(28)26-12-14-29-15-13-26)21(27)24-19(16-23)10-9-18-6-4-3-5-7-18/h3-7,17,19-20H,8-15H2,1-2H3,(H,24,27)(H,25,28)/t19-,20+/m1/s1
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n/an/a 387n/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))
BDBM50121571
PNG
(CHEMBL151641 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C21H30N4O3/c1-16(2)14-19(24-21(27)25-10-12-28-13-11-25)20(26)23-18(15-22)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m0/s1
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n/an/a 1.10E+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))
BDBM50121580
PNG
(CHEMBL347747 | Morpholine-4-carboxylic acid [3-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C)CCc1ccccc1
Show InChI InChI=1S/C21H33N3O3/c1-16(2)15-19(23-21(26)24-11-13-27-14-12-24)20(25)22-17(3)9-10-18-7-5-4-6-8-18/h4-8,16-17,19H,9-15H2,1-3H3,(H,22,25)(H,23,26)/t17-,19+/m1/s1
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n/an/a>3.39E+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))
BDBM50121552
PNG
(CHEMBL356669 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
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n/an/a 173n/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))
BDBM50121573
PNG
(CHEMBL358829 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)8-11-20(25-22(28)26-12-14-29-15-13-26)21(27)24-19(16-23)10-9-18-6-4-3-5-7-18/h3-7,17,19-20H,8-15H2,1-2H3,(H,24,27)(H,25,28)/t19-,20+/m1/s1
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n/an/an/a 28n/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))
BDBM50121551
PNG
(CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1
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n/an/a 41n/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))
BDBM50121553
PNG
(CHEMBL358695 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)CC#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)16-20(25-22(28)26-12-14-29-15-13-26)21(27)24-19(10-11-23)9-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-10,12-16H2,1-2H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1
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n/an/a>1.30E+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))
BDBM50121551
PNG
(CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1
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n/an/an/a 9n/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