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20 similar compounds to monomer 50223923

Compile data set for download or QSAR
Wt: 318.4
BDBM50223909
Wt: 350.8
BDBM50223910
Wt: 389.5
BDBM50223912
Wt: 304.3
BDBM50223915
Wt: 401.5
BDBM50223920
Wt: 428.5
BDBM50223925
Wt: 392.4
BDBM50223928
Wt: 414.5
BDBM50223931
Wt: 430.5
BDBM50223932
Wt: 401.5
BDBM50223941
Wt: 364.8
BDBM50252543
Wt: 392.9
BDBM50252544
Wt: 406.9
BDBM50252545
Wt: 374.4
BDBM50252598
Wt: 394.5
BDBM50252599
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50223909,50223910,50223912,50223915,50223920,50223925,50223928,50223931,50223932,50223941,50252543,50252544,50252545,50252598,50252599   
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))
BDBM50223920
PNG
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2
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n/an/a 980n/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))
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
Cathepsin S


(Homo sapiens (Human))
BDBM50223925
PNG
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)
Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3
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n/an/a 730n/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))
BDBM50223931
PNG
(6-(4-(4-methylpiperazin-1-yl)benzyl)-7-cyclohexyl-...)
Show SMILES CN1CCN(CC1)c1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H30N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15H2,1H3
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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 S


(Homo sapiens (Human))
BDBM50223932
PNG
(6-(4-(naphthalen-2-yl)benzyl)-7-neopentyl-7H-pyrro...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3ccccc3c2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C29H26N4/c1-29(2,3)19-33-26(16-25-18-31-27(17-30)32-28(25)33)14-20-8-10-22(11-9-20)24-13-12-21-6-4-5-7-23(21)15-24/h4-13,15-16,18H,14,19H2,1-3H3
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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))
BDBM50223925
PNG
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)
Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3
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n/an/a 1.5n/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))
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 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 S


(Homo sapiens (Human))
BDBM50223912
PNG
(6-(4-((diethylamino)methyl)benzyl)-7-neopentyl-7H-...)
Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H31N5/c1-6-28(7-2)16-19-10-8-18(9-11-19)12-21-13-20-15-26-22(14-25)27-23(20)29(21)17-24(3,4)5/h8-11,13,15H,6-7,12,16-17H2,1-5H3
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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 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))
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 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))
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))
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))
BDBM50223920
PNG
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2
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n/an/a 3.40n/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