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17 similar compounds to monomer 19856

Compile data set for download or QSAR
Wt: 391.5
BDBM19869
Wt: 390.5
BDBM19881
Wt: 390.5
BDBM19882
Wt: 390.5
BDBM19883
Wt: 404.5
BDBM19884
Wt: 404.5
BDBM19885
Wt: 490.6
BDBM19889
Wt: 446.5
BDBM19890
Wt: 446.6
BDBM19891
Wt: 434.5
BDBM19892
Wt: 462.6
BDBM19893
Wt: 461.6
BDBM19894
Wt: 438.5
BDBM19896
Wt: 390.5
BDBM19897
Wt: 402.5
BDBM19898
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 19869,19881,19882,19883,19884,19885,19889,19890,19891,19892,19893,19894,19896,19897,19898   
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 K


(Homo sapiens (Human))
BDBM19869
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
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n/an/a 638n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19898
PNG
(N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
Show InChI InChI=1/C25H30N4O/c1-28-13-15-29(16-14-28)23-9-7-20(8-10-23)21-3-2-4-22(18-21)24(17-19-5-6-19)25(30)27-12-11-26/h2-4,7-10,18-19,24H,5-6,12-17H2,1H3,(H,27,30)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19882
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 58n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19883
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 9n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19884
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazi...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)
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n/an/a 8n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19885
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpip...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)/t24-/s2
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n/an/a 6n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19889
PNG
(Nonpeptidic Biaryl Nitrile Compound, 50 | tert-but...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1/C29H38N4O3/c1-21(2)19-26(27(34)31-14-13-30)24-8-6-7-23(20-24)22-9-11-25(12-10-22)32-15-17-33(18-16-32)28(35)36-29(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,31,34)/t26-/s2
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n/an/a 922n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19890
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-(3-{4-[4-(2-oxopro...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1
Show InChI InChI=1/C27H34N4O2/c1-20(2)17-26(27(33)29-12-11-28)24-6-4-5-23(18-24)22-7-9-25(10-8-22)31-15-13-30(14-16-31)19-21(3)32/h4-10,18,20,26H,12-17,19H2,1-3H3,(H,29,33)/t26-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19891
PNG
((2R)-2-{3-[4-(4-tert-butylpiperazin-1-yl)phenyl]ph...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1/C28H38N4O/c1-21(2)19-26(27(33)30-14-13-29)24-8-6-7-23(20-24)22-9-11-25(12-10-22)31-15-17-32(18-16-31)28(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,30,33)/t26-/s2
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19892
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1
Show InChI InChI=1/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/s2
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19893
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxy-2-methy...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1
Show InChI InChI=1/C28H38N4O2/c1-21(2)18-26(27(33)30-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)32-16-14-31(15-17-32)20-28(3,4)34/h5-11,19,21,26,34H,13-18,20H2,1-4H3,(H,30,33)/t26-/s2
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19894
PNG
((2R)-2-(3-{4-[4-(2-amino-2-methylpropyl)piperazin-...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1
Show InChI InChI=1/C28H39N5O/c1-21(2)18-26(27(34)31-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)33-16-14-32(15-17-33)20-28(3,4)30/h5-11,19,21,26H,13-18,20,30H2,1-4H3,(H,31,34)/t26-/s2
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19896
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C28H30N4O/c1-31-16-18-32(19-17-31)26-12-10-23(11-13-26)24-8-5-9-25(21-24)27(28(33)30-15-14-29)20-22-6-3-2-4-7-22/h2-13,21,27H,15-20H2,1H3,(H,30,33)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19897
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C24H30N4O/c1-3-5-23(24(29)26-13-12-25)21-7-4-6-20(18-21)19-8-10-22(11-9-19)28-16-14-27(2)15-17-28/h4,6-11,18,23H,3,5,13-17H2,1-2H3,(H,26,29)
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n/an/a 87n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19898
PNG
(N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
Show InChI InChI=1/C25H30N4O/c1-28-13-15-29(16-14-28)23-9-7-20(8-10-23)21-3-2-4-22(18-21)24(17-19-5-6-19)25(30)27-12-11-26/h2-4,7-10,18-19,24H,5-6,12-17H2,1H3,(H,27,30)
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n/an/a 65n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19869
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19881
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[3-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)15-23(24(29)27-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)28-13-11-26-12-14-28/h3-8,16-18,23,26H,10-15H2,1-2H3,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19882
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 338n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19883
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19884
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazi...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)
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n/an/a 4.64E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19885
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpip...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)/t24-/s2
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n/an/a 6.27E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19889
PNG
(Nonpeptidic Biaryl Nitrile Compound, 50 | tert-but...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1/C29H38N4O3/c1-21(2)19-26(27(34)31-14-13-30)24-8-6-7-23(20-24)22-9-11-25(12-10-22)32-15-17-33(18-16-32)28(35)36-29(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,31,34)/t26-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19890
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-(3-{4-[4-(2-oxopro...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1
Show InChI InChI=1/C27H34N4O2/c1-20(2)17-26(27(33)29-12-11-28)24-6-4-5-23(18-24)22-7-9-25(10-8-22)31-15-13-30(14-16-31)19-21(3)32/h4-10,18,20,26H,12-17,19H2,1-3H3,(H,29,33)/t26-/s2
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n/an/a 2.16E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19891
PNG
((2R)-2-{3-[4-(4-tert-butylpiperazin-1-yl)phenyl]ph...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1/C28H38N4O/c1-21(2)19-26(27(33)30-14-13-29)24-8-6-7-23(20-24)22-9-11-25(12-10-22)31-15-17-32(18-16-31)28(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,30,33)/t26-/s2
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n/an/a 1.67E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19892
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1
Show InChI InChI=1/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19893
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxy-2-methy...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1
Show InChI InChI=1/C28H38N4O2/c1-21(2)18-26(27(33)30-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)32-16-14-31(15-17-32)20-28(3,4)34/h5-11,19,21,26,34H,13-18,20H2,1-4H3,(H,30,33)/t26-/s2
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n/an/a 9.55E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19894
PNG
((2R)-2-(3-{4-[4-(2-amino-2-methylpropyl)piperazin-...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1
Show InChI InChI=1/C28H39N5O/c1-21(2)18-26(27(34)31-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)33-16-14-32(15-17-33)20-28(3,4)30/h5-11,19,21,26H,13-18,20,30H2,1-4H3,(H,31,34)/t26-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19896
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C28H30N4O/c1-31-16-18-32(19-17-31)26-12-10-23(11-13-26)24-8-5-9-25(21-24)27(28(33)30-15-14-29)20-22-6-3-2-4-7-22/h2-13,21,27H,15-20H2,1H3,(H,30,33)
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n/an/a 3.91E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19897
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C24H30N4O/c1-3-5-23(24(29)26-13-12-25)21-7-4-6-20(18-21)19-8-10-22(11-9-19)28-16-14-27(2)15-17-28/h4,6-11,18,23H,3,5,13-17H2,1-2H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19898
PNG
(N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
Show InChI InChI=1/C25H30N4O/c1-28-13-15-29(16-14-28)23-9-7-20(8-10-23)21-3-2-4-22(18-21)24(17-19-5-6-19)25(30)27-12-11-26/h2-4,7-10,18-19,24H,5-6,12-17H2,1H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19869
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
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n/an/a 9.42E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19881
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[3-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)15-23(24(29)27-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)28-13-11-26-12-14-28/h3-8,16-18,23,26H,10-15H2,1-2H3,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19882
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 521n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19883
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19884
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazi...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19885
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpip...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)/t24-/s2
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n/an/a 3.93E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19889
PNG
(Nonpeptidic Biaryl Nitrile Compound, 50 | tert-but...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1/C29H38N4O3/c1-21(2)19-26(27(34)31-14-13-30)24-8-6-7-23(20-24)22-9-11-25(12-10-22)32-15-17-33(18-16-32)28(35)36-29(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,31,34)/t26-/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19890
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-(3-{4-[4-(2-oxopro...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1
Show InChI InChI=1/C27H34N4O2/c1-20(2)17-26(27(33)29-12-11-28)24-6-4-5-23(18-24)22-7-9-25(10-8-22)31-15-13-30(14-16-31)19-21(3)32/h4-10,18,20,26H,12-17,19H2,1-3H3,(H,29,33)/t26-/s2
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n/an/a 2.36E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19891
PNG
((2R)-2-{3-[4-(4-tert-butylpiperazin-1-yl)phenyl]ph...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1/C28H38N4O/c1-21(2)19-26(27(33)30-14-13-29)24-8-6-7-23(20-24)22-9-11-25(12-10-22)31-15-17-32(18-16-31)28(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,30,33)/t26-/s2
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n/an/a 8.34E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19892
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1
Show InChI InChI=1/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/s2
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n/an/a 609n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19893
PNG
((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxy-2-methy...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1
Show InChI InChI=1/C28H38N4O2/c1-21(2)18-26(27(33)30-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)32-16-14-31(15-17-32)20-28(3,4)34/h5-11,19,21,26,34H,13-18,20H2,1-4H3,(H,30,33)/t26-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19894
PNG
((2R)-2-(3-{4-[4-(2-amino-2-methylpropyl)piperazin-...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1
Show InChI InChI=1/C28H39N5O/c1-21(2)18-26(27(34)31-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)33-16-14-32(15-17-33)20-28(3,4)30/h5-11,19,21,26H,13-18,20,30H2,1-4H3,(H,31,34)/t26-/s2
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19896
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C28H30N4O/c1-31-16-18-32(19-17-31)26-12-10-23(11-13-26)24-8-5-9-25(21-24)27(28(33)30-15-14-29)20-22-6-3-2-4-7-22/h2-13,21,27H,15-20H2,1H3,(H,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19897
PNG
(N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C24H30N4O/c1-3-5-23(24(29)26-13-12-25)21-7-4-6-20(18-21)19-8-10-22(11-9-19)28-16-14-27(2)15-17-28/h4,6-11,18,23H,3,5,13-17H2,1-2H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19898
PNG
(N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
Show InChI InChI=1/C25H30N4O/c1-28-13-15-29(16-14-28)23-9-7-20(8-10-23)21-3-2-4-22(18-21)24(17-19-5-6-19)25(30)27-12-11-26/h2-4,7-10,18-19,24H,5-6,12-17H2,1H3,(H,27,30)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19869
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19881
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[3-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)15-23(24(29)27-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)28-13-11-26-12-14-28/h3-8,16-18,23,26H,10-15H2,1-2H3,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19882
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19883
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)
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n/an/a 2.41E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM19884
PNG
(N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazi...)
Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)
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n/an/a 3.84E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 46: 3709-27 (2003)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2513WH4
More data for this
Ligand-Target Pair
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