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12 similar compounds to monomer 50273217

Compile data set for download or QSAR
Wt: 349.4
BDBM19731
Wt: 379.4
BDBM19732
Wt: 367.4
BDBM19736
Wt: 367.4
BDBM19737
Wt: 406.5
BDBM19738
Wt: 449.5
BDBM19741
Wt: 399.4
BDBM50273216
Wt: 389.4
BDBM50273218
Wt: 472.6
BDBM50273286
Wt: 472.6
BDBM50273288
Wt: 363.4
BDBM50273176
Wt: 377.4
BDBM50273177

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 19731,19732,19736,19737,19738,19741,50273216,50273218,50273286,50273288,50273176,50273177   
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))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 0.0100n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273216
PNG
(2-cyano-4-((4,4-difluorocyclohexyl)methylamino)-N-...)
Show SMILES FC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1
Show InChI InChI=1S/C21H23F2N5O/c22-21(23)9-6-16(7-10-21)13-27-19-17(14-26-18(12-24)28-19)20(29)25-11-8-15-4-2-1-3-5-15/h1-5,14,16H,6-11,13H2,(H,25,29)(H,26,27,28)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19736
PNG
(2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a<0.00300n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19737
PNG
(2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a<0.00300n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19738
PNG
(2-Cyano-pyrimidine, 17c | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N
Show InChI InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)
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n/an/a 0.300n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19741
PNG
(2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)
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n/an/a 0.0110n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 1.10n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19732
PNG
(2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)
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n/an/a 0.170n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19736
PNG
(2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a 0.340n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19737
PNG
(2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a 1.20n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19738
PNG
(2-Cyano-pyrimidine, 17c | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N
Show InChI InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)
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n/an/a>10n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19741
PNG
(2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)
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n/an/a 0.330n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 0.130n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19732
PNG
(2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19736
PNG
(2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a 1.60n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19737
PNG
(2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)
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Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19738
PNG
(2-Cyano-pyrimidine, 17c | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N
Show InChI InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)
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Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19741
PNG
(2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)
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n/an/a 2.5n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273176
PNG
(2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N
Show InChI InChI=1S/C21H25N5O/c22-13-19-24-15-18(20(26-19)25-14-17-9-5-2-6-10-17)21(27)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-12,14H2,(H,23,27)(H,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273176
PNG
(2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N
Show InChI InChI=1S/C21H25N5O/c22-13-19-24-15-18(20(26-19)25-14-17-9-5-2-6-10-17)21(27)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-12,14H2,(H,23,27)(H,24,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273216
PNG
(2-cyano-4-((4,4-difluorocyclohexyl)methylamino)-N-...)
Show SMILES FC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1
Show InChI InChI=1S/C21H23F2N5O/c22-21(23)9-6-16(7-10-21)13-27-19-17(14-26-18(12-24)28-19)20(29)25-11-8-15-4-2-1-3-5-15/h1-5,14,16H,6-11,13H2,(H,25,29)(H,26,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273218
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C23H27N5O/c24-14-20-26-16-19(22(29)25-13-8-17-4-2-1-3-5-17)21(28-20)27-15-18-6-9-23(10-7-18)11-12-23/h1-5,16,18H,6-13,15H2,(H,25,29)(H,26,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273176
PNG
(2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N
Show InChI InChI=1S/C21H25N5O/c22-13-19-24-15-18(20(26-19)25-14-17-9-5-2-6-10-17)21(27)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-12,14H2,(H,23,27)(H,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
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n/an/a 36n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273216
PNG
(2-cyano-4-((4,4-difluorocyclohexyl)methylamino)-N-...)
Show SMILES FC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1
Show InChI InChI=1S/C21H23F2N5O/c22-21(23)9-6-16(7-10-21)13-27-19-17(14-26-18(12-24)28-19)20(29)25-11-8-15-4-2-1-3-5-15/h1-5,14,16H,6-11,13H2,(H,25,29)(H,26,27,28)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273286
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(CNC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,22-5-3-2-4-6-22)20-32-26(35)23-19-30-24(17-29)33-25(23)31-18-21-7-9-27(10-8-21)11-12-27/h2-6,19,21H,7-16,18,20H2,1H3,(H,32,35)(H,30,31,33)
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n/an/a 700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273218
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C23H27N5O/c24-14-20-26-16-19(22(29)25-13-8-17-4-2-1-3-5-17)21(28-20)27-15-18-6-9-23(10-7-18)11-12-23/h1-5,16,18H,6-13,15H2,(H,25,29)(H,26,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273286
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(CNC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,22-5-3-2-4-6-22)20-32-26(35)23-19-30-24(17-29)33-25(23)31-18-21-7-9-27(10-8-21)11-12-27/h2-6,19,21H,7-16,18,20H2,1H3,(H,32,35)(H,30,31,33)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273286
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(CNC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,22-5-3-2-4-6-22)20-32-26(35)23-19-30-24(17-29)33-25(23)31-18-21-7-9-27(10-8-21)11-12-27/h2-6,19,21H,7-16,18,20H2,1H3,(H,32,35)(H,30,31,33)
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n/an/a 170n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273218
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C23H27N5O/c24-14-20-26-16-19(22(29)25-13-8-17-4-2-1-3-5-17)21(28-20)27-15-18-6-9-23(10-7-18)11-12-23/h1-5,16,18H,6-13,15H2,(H,25,29)(H,26,27,28)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19732
PNG
(2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0220n/an/an/an/a7.022



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair