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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'toriyama' and Initial = 'k'   
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


(Rattus norvegicus)
BDBM50223929
PNG
(7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,...)
Show SMILES CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223934
PNG
(7-(2,2-Dimethyl-propyl)-6-(2,4-dioxo-8-propyl-1,3,...)
Show SMILES CCCN1CCC2(CC1)NC(=O)N(Cc1cc3cnc(nc3n1CC(C)(C)C)C#N)C2=O
Show InChI InChI=1S/C23H31N7O2/c1-5-8-28-9-6-23(7-10-28)20(31)29(21(32)27-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32)
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223913
PNG
(6-((1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50244510
PNG
(7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...)
Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1
Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50244460
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-23-15(9-21)24-16(13)27)11-26-17(28)20(25-18(26)29)4-6-22-7-5-20/h8,10,22H,4-7,11-12H2,1-3H3,(H,25,29)
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223919
PNG
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N
Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3
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n/an/a 78n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50245103
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1,3,...)
Show SMILES CCCN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C23H31N7O2/c1-5-8-29-20(31)23(27-21(29)32)6-9-28(10-7-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50245103
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1,3,...)
Show SMILES CCCN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C23H31N7O2/c1-5-8-29-20(31)23(27-21(29)32)6-9-28(10-7-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50244459
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2CCC3(CC2)NC(=O)NC3=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-22-15(9-21)23-16(13)27)11-26-6-4-20(5-7-26)17(28)24-18(29)25-20/h8,10H,4-7,11-12H2,1-3H3,(H2,24,25,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50244460
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-23-15(9-21)24-16(13)27)11-26-17(28)20(25-18(26)29)4-6-22-7-5-20/h8,10,22H,4-7,11-12H2,1-3H3,(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50244510
PNG
(7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...)
Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1
Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50244460
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-23-15(9-21)24-16(13)27)11-26-17(28)20(25-18(26)29)4-6-22-7-5-20/h8,10,22H,4-7,11-12H2,1-3H3,(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50244510
PNG
(7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...)
Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1
Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50244459
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2CCC3(CC2)NC(=O)NC3=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-22-15(9-21)23-16(13)27)11-26-6-4-20(5-7-26)17(28)24-18(29)25-20/h8,10H,4-7,11-12H2,1-3H3,(H2,24,25,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair