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PubMed code 17256925

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM19744
PNG
(2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)
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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))		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))		BDBM19743
PNG
(2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)
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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))		BDBM19733
PNG
(2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)
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n/an/a 0.00900n/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))		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 K


(Homo sapiens (Human))		BDBM19740
PNG
(2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)
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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 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 K


(Homo sapiens (Human))		BDBM19742
PNG
(2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)
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n/an/a 0.0130n/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))		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 0.0220n/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
Cathepsin K


(Homo sapiens (Human))		BDBM19739
PNG
(2-Cyano-pyrimidine, 17d | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-10-9-18-5-7-19(8-6-18)31-13-11-30(4)12-14-31/h5-8,16H,9-14,17H2,1-4H3,(H,26,32)(H,27,28,29)
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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 K


(Homo sapiens (Human))		BDBM19745
PNG
(2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)
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n/an/a 0.0310n/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))		BDBM19735
PNG
(2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)
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n/an/a 0.0470n/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))		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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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
Procathepsin L


(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 S


(Homo sapiens (Human))		BDBM19733
PNG
(2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)
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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 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
Procathepsin L


(Homo sapiens (Human))		BDBM19733
PNG
(2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)
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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
Procathepsin L


(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
Procathepsin L


(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
Procathepsin L


(Homo sapiens (Human))		BDBM19735
PNG
(2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)
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n/an/a 0.450n/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))		BDBM19735
PNG
(2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)
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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))		BDBM19744
PNG
(2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)
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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
Procathepsin L


(Homo sapiens (Human))		BDBM19743
PNG
(2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)
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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
Procathepsin L


(Homo sapiens (Human))		BDBM19745
PNG
(2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)
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n/an/a 0.580n/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
Procathepsin L


(Homo sapiens (Human))		BDBM19744
PNG
(2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)
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n/an/a 0.680n/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))		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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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))		BDBM19734
PNG
(2-Cyano-pyrimidine, 16d | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)
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n/an/a 0.75n/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
Procathepsin L


(Homo sapiens (Human))		BDBM19740
PNG
(2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)
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n/an/a 0.820n/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))		BDBM19743
PNG
(2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)
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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))		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
Procathepsin L


(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
Procathepsin L


(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))		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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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
Procathepsin L


(Homo sapiens (Human))		BDBM19742
PNG
(2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)
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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))		BDBM19740
PNG
(2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)
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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))		BDBM19734
PNG
(2-Cyano-pyrimidine, 16d | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)
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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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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))		BDBM19745
PNG
(2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)
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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))		BDBM19739
PNG
(2-Cyano-pyrimidine, 17d | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-10-9-18-5-7-19(8-6-18)31-13-11-30(4)12-14-31/h5-8,16H,9-14,17H2,1-4H3,(H,26,32)(H,27,28,29)
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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
Procathepsin L


(Homo sapiens (Human))		BDBM19739
PNG
(2-Cyano-pyrimidine, 17d | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-10-9-18-5-7-19(8-6-18)31-13-11-30(4)12-14-31/h5-8,16H,9-14,17H2,1-4H3,(H,26,32)(H,27,28,29)
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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
Procathepsin L


(Homo sapiens (Human))		BDBM19734
PNG
(2-Cyano-pyrimidine, 16d | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)
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n/an/a 5.10n/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 K


(Homo sapiens (Human))		BDBM19746
PNG
(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Show SMILES CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1
Show InChI InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24)
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n/an/a 6n/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		3D
3D Structure (crystal)
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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n/an/a>10n/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))		BDBM19742
PNG
(2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)
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n/an/a 10n/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
Procathepsin L


(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
Procathepsin L


(Homo sapiens (Human))		BDBM19746
PNG
(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Show SMILES CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1
Show InChI InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24)
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n/an/a 89n/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 K


(Homo sapiens (Human))		BDBM19748
PNG
(2-(cyclohexylamino)pyrimidine-4-carbonitrile | 4-C...)
Show SMILES N#Cc1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C11H14N4/c12-8-10-6-7-13-11(15-10)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14,15)
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n/an/a 120n/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))		BDBM19746
PNG
(6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)e...)
Show SMILES CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1
Show InChI InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24)
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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 K


(Homo sapiens (Human))		BDBM19749
PNG
(2-Cyano-pyrimidine, 5 | 4-(cyclohexylamino)pyrimid...)
Show SMILES N#Cc1nccc(NC2CCCCC2)n1
Show InChI InChI=1S/C11H14N4/c12-8-11-13-7-6-10(15-11)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14,15)
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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 K


(Homo sapiens (Human))		BDBM19747
PNG
(2-Cyano-pyridine, 8 | 6-(cyclohexylamino)pyridine-...)
Show SMILES N#Cc1cccc(NC2CCCCC2)n1
Show InChI InChI=1S/C12H15N3/c13-9-11-7-4-8-12(15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6H2,(H,14,15)
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n/an/a 1.00E+3n/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 K


(Homo sapiens (Human))		BDBM19751
PNG
(3-(cyclohexylamino)benzonitrile | benzonitrile, 11)
Show SMILES N#Cc1cccc(NC2CCCCC2)c1
Show InChI InChI=1S/C13H16N2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7H2
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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 K


(Homo sapiens (Human))		BDBM19750
PNG
(2-Cyano-pyrazine, 10 | 6-(cyclohexylamino)pyrazine...)
Show SMILES N#Cc1cncc(NC2CCCCC2)n1
Show InChI InChI=1S/C11H14N4/c12-6-10-7-13-8-11(15-10)14-9-4-2-1-3-5-9/h7-9H,1-5H2,(H,14,15)
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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
* indicates data uncertainty>20%