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16 similar compounds to monomer 50323075

Compile data set for download or QSAR
Wt: 257.7
BDBM50323072
Wt: 265.3
BDBM50323074
Wt: 265.3
BDBM50323076
Wt: 265.3
BDBM50323077
Wt: 279.3
BDBM50323078
Wt: 263.3
BDBM50323080
Wt: 277.3
BDBM50323081
Wt: 359.2
BDBM50323082
Wt: 291.2
BDBM50313461
Wt: 223.2
BDBM50313462
Wt: 291.2
BDBM50313464
Wt: 279.3
BDBM50313467
Wt: 291.3
BDBM50313468
Wt: 237.2
BDBM50313470
Wt: 248.2
BDBM50313471
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 75 hits for monomerid = 50323072,50323074,50323076,50323077,50323078,50323080,50323081,50323082,50313461,50313462,50313464,50313467,50313468,50313470,50313471   
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))
BDBM50313461
PNG
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin S


(Homo sapiens (Human))
BDBM50313461
PNG
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a 985n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313464
PNG
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313464
PNG
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313467
PNG
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313467
PNG
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3
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n/an/a 191n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313468
PNG
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1
Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
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n/an/a 457n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313468
PNG
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1
Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
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n/an/a 155n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313470
PNG
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(C)c1
Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
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n/an/a 181n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313470
PNG
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(C)c1
Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313471
PNG
(4-(3-cyanophenyl)-6-propylpyrimidine-2-carbonitril...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C#N
Show InChI InChI=1S/C15H12N4/c1-2-4-13-8-14(19-15(10-17)18-13)12-6-3-5-11(7-12)9-16/h3,5-8H,2,4H2,1H3
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n/an/a 293n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313471
PNG
(4-(3-cyanophenyl)-6-propylpyrimidine-2-carbonitril...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C#N
Show InChI InChI=1S/C15H12N4/c1-2-4-13-8-14(19-15(10-17)18-13)12-6-3-5-11(7-12)9-16/h3,5-8H,2,4H2,1H3
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n/an/a 191n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313461
PNG
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313464
PNG
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323072
PNG
(4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323074
PNG
(4-(3-acetylphenyl)-6-propylpyrimidine-2-carbonitri...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C16H15N3O/c1-3-5-14-9-15(19-16(10-17)18-14)13-7-4-6-12(8-13)11(2)20/h4,6-9H,3,5H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313470
PNG
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(C)c1
Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323076
PNG
(4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...)
Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N
Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323077
PNG
(4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323078
PNG
(4-(3-isobutylphenyl)-6-propylpyrimidine-2-carbonit...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1
Show InChI InChI=1S/C18H21N3/c1-4-6-16-11-17(21-18(12-19)20-16)15-8-5-7-14(10-15)9-13(2)3/h5,7-8,10-11,13H,4,6,9H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313467
PNG
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323080
PNG
(4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1
Show InChI InChI=1S/C17H17N3/c1-2-4-15-10-16(20-17(11-18)19-15)14-6-3-5-13(9-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323081
PNG
(4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1
Show InChI InChI=1S/C18H19N3/c1-2-5-16-11-17(21-18(12-19)20-16)15-9-4-8-14(10-15)13-6-3-7-13/h4,8-11,13H,2-3,5-7H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313468
PNG
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1
Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50323082
PNG
(4-(3,5-bis(trifluoromethyl)phenyl)-6-propylpyrimid...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6N3/c1-2-3-12-7-13(25-14(8-23)24-12)9-4-10(15(17,18)19)6-11(5-9)16(20,21)22/h4-7H,2-3H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313461
PNG
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313464
PNG
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323072
PNG
(4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3
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n/an/a 148n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323074
PNG
(4-(3-acetylphenyl)-6-propylpyrimidine-2-carbonitri...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C16H15N3O/c1-3-5-14-9-15(19-16(10-17)18-14)13-7-4-6-12(8-13)11(2)20/h4,6-9H,3,5H2,1-2H3
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n/an/a 447n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313470
PNG
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(C)c1
Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
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n/an/a 950n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323076
PNG
(4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...)
Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N
Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323077
PNG
(4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3
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n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323078
PNG
(4-(3-isobutylphenyl)-6-propylpyrimidine-2-carbonit...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1
Show InChI InChI=1S/C18H21N3/c1-4-6-16-11-17(21-18(12-19)20-16)15-8-5-7-14(10-15)9-13(2)3/h5,7-8,10-11,13H,4,6,9H2,1-3H3
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n/an/a 224n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313467
PNG
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3
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n/an/a 191n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323080
PNG
(4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1
Show InChI InChI=1S/C17H17N3/c1-2-4-15-10-16(20-17(11-18)19-15)14-6-3-5-13(9-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323081
PNG
(4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1
Show InChI InChI=1S/C18H19N3/c1-2-5-16-11-17(21-18(12-19)20-16)15-9-4-8-14(10-15)13-6-3-7-13/h4,8-11,13H,2-3,5-7H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313468
PNG
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1
Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
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n/an/a 155n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323082
PNG
(4-(3,5-bis(trifluoromethyl)phenyl)-6-propylpyrimid...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6N3/c1-2-3-12-7-13(25-14(8-23)24-12)9-4-10(15(17,18)19)6-11(5-9)16(20,21)22/h4-7H,2-3H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313461
PNG
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313464
PNG
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3
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n/an/a 977n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323072
PNG
(4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323076
PNG
(4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...)
Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N
Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3
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n/an/a 166n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323077
PNG
(4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323078
PNG
(4-(3-isobutylphenyl)-6-propylpyrimidine-2-carbonit...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1
Show InChI InChI=1S/C18H21N3/c1-4-6-16-11-17(21-18(12-19)20-16)15-8-5-7-14(10-15)9-13(2)3/h5,7-8,10-11,13H,4,6,9H2,1-3H3
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n/an/a 398n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313467
PNG
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
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