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Compile Data Set for Download or QSAR

Found 1828 hits with Last Name = 'altmann' and Initial = 'e'   
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))
BDBM50113662
PNG
(1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...


J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...


J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
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))
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))
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))
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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n/an/a 0.0250n/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))
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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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 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 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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n/an/a 0.230n/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))
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 L1


(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 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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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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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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50308093
PNG
(1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=S)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H28N2O3S/c1-4-15-33-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(35)31(27)19-21-6-5-7-24(17-21)34-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...


J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Cathepsin L1


(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))
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
Cathepsin L1


(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 L1


(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 L1


(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
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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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))
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))
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))
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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097971
PNG
(CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...)
Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097967
PNG
(3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097979
PNG
(2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400274
PNG
(CHEMBL2180765 | US9085555, 373)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12 |r|
Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1
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US Patent
n/an/a 1n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19762
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1
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n/an/a<1n/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...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19764
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1
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n/an/a<1n/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...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19765
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1
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n/an/a<1n/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...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
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))
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50308090
PNG
(1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-pheny...)
Show SMILES CCOc1cc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)ccc1OC
Show InChI InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...


J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325523
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3SC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O2S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
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n/an/a 1.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50308081
PNG
(4-(4-Isopropyl-phenyl)-1-(4-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(C)cc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-16-32-24-14-15-26-25(17-24)27(23-12-10-22(11-13-23)19(2)3)29-28(31)30(26)18-21-8-6-20(4)7-9-21/h1,6-15,17,19H,16,18H2,2-4H3
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n/an/a 1.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...


J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Cathepsin L1


(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 1.70n/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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50308087
PNG
(4-(4-Isopropyl-phenyl)-1-(3-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(C)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-15-32-24-13-14-26-25(17-24)27(23-11-9-22(10-12-23)19(2)3)29-28(31)30(26)18-21-8-6-7-20(4)16-21/h1,6-14,16-17,19H,15,18H2,2-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...


J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
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