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19 similar compounds to monomer 50252504

Compile data set for download or QSAR
Wt: 318.4
BDBM50223909
Wt: 350.8
BDBM50223910
Wt: 304.3
BDBM50223915
Wt: 316.3
BDBM50223923
Wt: 392.4
BDBM50223928
Wt: 338.8
BDBM50223938
Wt: 401.5
BDBM50223941
Wt: 364.8
BDBM50252543
Wt: 392.9
BDBM50252544
Wt: 406.9
BDBM50252545
Wt: 372.8
BDBM50252546
Wt: 407.2
BDBM50252547
Wt: 407.2
BDBM50252596
Wt: 374.4
BDBM50252598
Wt: 394.5
BDBM50252599
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50223909,50223910,50223915,50223923,50223928,50223938,50223941,50252543,50252544,50252545,50252546,50252547,50252596,50252598,50252599   
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 S


(Homo sapiens (Human))
BDBM50223915
PNG
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)
Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252543
PNG
(6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223923
PNG
(6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-...)
Show SMILES N#Cc1ncc2cc(Cc3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C20H20N4/c21-13-19-22-14-16-12-18(11-15-7-3-1-4-8-15)24(20(16)23-19)17-9-5-2-6-10-17/h1,3-4,7-8,12,14,17H,2,5-6,9-11H2
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n/an/a 390n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223909
PNG
(7-(2,2-dimethyl-propyl)-6-(4-methyl-benzyl)-7H-pyr...)
Show SMILES Cc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H22N4/c1-14-5-7-15(8-6-14)9-17-10-16-12-22-18(11-21)23-19(16)24(17)13-20(2,3)4/h5-8,10,12H,9,13H2,1-4H3
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n/an/a 930n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223938
PNG
(6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]py...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H19ClN4/c1-19(2,3)12-24-16(8-13-4-6-15(20)7-5-13)9-14-11-22-17(10-21)23-18(14)24/h4-7,9,11H,8,12H2,1-3H3
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n/an/a 460n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223928
PNG
(6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)-c3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C26H24N4/c27-17-25-28-18-22-16-24(30(26(22)29-25)23-9-5-2-6-10-23)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,16,18,23H,2,5-6,9-10,15H2
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223910
PNG
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2
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n/an/a 490n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223928
PNG
(6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)-c3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C26H24N4/c27-17-25-28-18-22-16-24(30(26(22)29-25)23-9-5-2-6-10-23)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,16,18,23H,2,5-6,9-10,15H2
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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 cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223915
PNG
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)
Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223923
PNG
(6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-...)
Show SMILES N#Cc1ncc2cc(Cc3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C20H20N4/c21-13-19-22-14-16-12-18(11-15-7-3-1-4-8-15)24(20(16)23-19)17-9-5-2-6-10-17/h1,3-4,7-8,12,14,17H,2,5-6,9-11H2
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223941
PNG
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)
Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3
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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 cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223941
PNG
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)
Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3
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n/an/a 4.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252546
PNG
(6-(4-chlorobenzyl)-7-phenethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2ccccc2)C#N)cc1
Show InChI InChI=1S/C22H17ClN4/c23-19-8-6-17(7-9-19)12-20-13-18-15-25-21(14-24)26-22(18)27(20)11-10-16-4-2-1-3-5-16/h1-9,13,15H,10-12H2
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n/an/a 23n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252545
PNG
(6-(4-chlorobenzyl)-7-(2-cyclooctylethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27ClN4/c25-21-10-8-19(9-11-21)14-22-15-20-17-27-23(16-26)28-24(20)29(22)13-12-18-6-4-2-1-3-5-7-18/h8-11,15,17-18H,1-7,12-14H2
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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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252544
PNG
(6-(4-chlorobenzyl)-7-(2-cycloheptylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-9-7-18(8-10-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-11-17-5-3-1-2-4-6-17/h7-10,14,16-17H,1-6,11-13H2
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n/an/a 840n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252543
PNG
(6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2
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n/an/a 260n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252598
PNG
(6-(4-methoxybenzyl)-7-(2-cyclohexylethyl)-7H-pyrro...)
Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H26N4O/c1-28-21-9-7-18(8-10-21)13-20-14-19-16-25-22(15-24)26-23(19)27(20)12-11-17-5-3-2-4-6-17/h7-10,14,16-17H,2-6,11-13H2,1H3
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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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252596
PNG
(7-(3-chlorophenethyl)-6-(4-chlorobenzyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2cccc(Cl)c2)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-6-4-16(5-7-18)11-20-12-17-14-26-21(13-25)27-22(17)28(20)9-8-15-2-1-3-19(24)10-15/h1-7,10,12,14H,8-9,11H2
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n/an/a 40n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252547
PNG
(6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2
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n/an/a 86n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50223938
PNG
(6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]py...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H19ClN4/c1-19(2,3)12-24-16(8-13-4-6-15(20)7-5-13)9-14-11-22-17(10-21)23-18(14)24/h4-7,9,11H,8,12H2,1-3H3
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n/an/a 460n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50223938
PNG
(6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]py...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H19ClN4/c1-19(2,3)12-24-16(8-13-4-6-15(20)7-5-13)9-14-11-22-17(10-21)23-18(14)24/h4-7,9,11H,8,12H2,1-3H3
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n/an/a 96n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252599
PNG
(7-(2-cyclohexylethyl)-6-(naphthalen-1-ylmethyl)-7H...)
Show SMILES N#Cc1ncc2cc(Cc3cccc4ccccc34)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C26H26N4/c27-17-25-28-18-22-16-23(15-21-11-6-10-20-9-4-5-12-24(20)21)30(26(22)29-25)14-13-19-7-2-1-3-8-19/h4-6,9-12,16,18-19H,1-3,7-8,13-15H2
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n/an/a 440n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252598
PNG
(6-(4-methoxybenzyl)-7-(2-cyclohexylethyl)-7H-pyrro...)
Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H26N4O/c1-28-21-9-7-18(8-10-21)13-20-14-19-16-25-22(15-24)26-23(19)27(20)12-11-17-5-3-2-4-6-17/h7-10,14,16-17H,2-6,11-13H2,1H3
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n/an/a 110n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252596
PNG
(7-(3-chlorophenethyl)-6-(4-chlorobenzyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2cccc(Cl)c2)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-6-4-16(5-7-18)11-20-12-17-14-26-21(13-25)27-22(17)28(20)9-8-15-2-1-3-19(24)10-15/h1-7,10,12,14H,8-9,11H2
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n/an/a 190n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252547
PNG
(6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2
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n/an/a 19n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252546
PNG
(6-(4-chlorobenzyl)-7-phenethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2ccccc2)C#N)cc1
Show InChI InChI=1S/C22H17ClN4/c23-19-8-6-17(7-9-19)12-20-13-18-15-25-21(14-24)26-22(18)27(20)11-10-16-4-2-1-3-5-16/h1-9,13,15H,10-12H2
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n/an/a 64n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252545
PNG
(6-(4-chlorobenzyl)-7-(2-cyclooctylethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27ClN4/c25-21-10-8-19(9-11-21)14-22-15-20-17-27-23(16-26)28-24(20)29(22)13-12-18-6-4-2-1-3-5-7-18/h8-11,15,17-18H,1-7,12-14H2
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n/an/a 99n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252544
PNG
(6-(4-chlorobenzyl)-7-(2-cycloheptylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-9-7-18(8-10-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-11-17-5-3-1-2-4-6-17/h7-10,14,16-17H,1-6,11-13H2
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n/an/a 33n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252543
PNG
(6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2
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n/an/a 7n/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


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252598
PNG
(6-(4-methoxybenzyl)-7-(2-cyclohexylethyl)-7H-pyrro...)
Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H26N4O/c1-28-21-9-7-18(8-10-21)13-20-14-19-16-25-22(15-24)26-23(19)27(20)12-11-17-5-3-2-4-6-17/h7-10,14,16-17H,2-6,11-13H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252596
PNG
(7-(3-chlorophenethyl)-6-(4-chlorobenzyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2cccc(Cl)c2)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-6-4-16(5-7-18)11-20-12-17-14-26-21(13-25)27-22(17)28(20)9-8-15-2-1-3-19(24)10-15/h1-7,10,12,14H,8-9,11H2
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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 K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252547
PNG
(6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1
Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2
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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 K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252546
PNG
(6-(4-chlorobenzyl)-7-phenethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCc2ccccc2)C#N)cc1
Show InChI InChI=1S/C22H17ClN4/c23-19-8-6-17(7-9-19)12-20-13-18-15-25-21(14-24)26-22(18)27(20)11-10-16-4-2-1-3-5-16/h1-9,13,15H,10-12H2
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252545
PNG
(6-(4-chlorobenzyl)-7-(2-cyclooctylethyl)-7H-pyrrol...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27ClN4/c25-21-10-8-19(9-11-21)14-22-15-20-17-27-23(16-26)28-24(20)29(22)13-12-18-6-4-2-1-3-5-7-18/h8-11,15,17-18H,1-7,12-14H2
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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 K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252544
PNG
(6-(4-chlorobenzyl)-7-(2-cycloheptylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-9-7-18(8-10-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-11-17-5-3-1-2-4-6-17/h7-10,14,16-17H,1-6,11-13H2
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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 K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223910
PNG
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2
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n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair