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3 similar compounds to monomer 50156084

Compile data set for download or QSAR
Wt: 428.4
BDBM50156086
Wt: 460.5
BDBM50156087
Wt: 527.6
BDBM50156092

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50156086,50156087,50156092   
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 L1


(Homo sapiens (Human))
BDBM50156086
PNG
(9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENY...)
Show SMILES N#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50156087
PNG
(9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...)
Show SMILES CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1
Show InChI InChI=1S/C25H32N8O/c1-31-12-14-32(15-13-31)11-6-16-34-21-10-5-4-9-20(21)28-24-23-25(30-22(17-26)29-24)33(18-27-23)19-7-2-3-8-19/h4-5,9-10,18-19H,2-3,6-8,11-16H2,1H3,(H,28,29,30)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50156086
PNG
(9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENY...)
Show SMILES N#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin L1


(Homo sapiens (Human))
BDBM50156087
PNG
(9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...)
Show SMILES CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1
Show InChI InChI=1S/C25H32N8O/c1-31-12-14-32(15-13-31)11-6-16-34-21-10-5-4-9-20(21)28-24-23-25(30-22(17-26)29-24)33(18-27-23)19-7-2-3-8-19/h4-5,9-10,18-19H,2-3,6-8,11-16H2,1H3,(H,28,29,30)
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n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50156092
PNG
(9-Cyclopentyl-6-(2-{4-[2-(2-methoxy-ethylamino)-et...)
Show SMILES COCCNCCOc1ccc(COc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
Show InChI InChI=1S/C29H33N7O3/c1-37-16-14-31-15-17-38-23-12-10-21(11-13-23)19-39-25-9-5-4-8-24(25)33-28-27-29(35-26(18-30)34-28)36(20-32-27)22-6-2-3-7-22/h4-5,8-13,20,22,31H,2-3,6-7,14-17,19H2,1H3,(H,33,34,35)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50156092
PNG
(9-Cyclopentyl-6-(2-{4-[2-(2-methoxy-ethylamino)-et...)
Show SMILES COCCNCCOc1ccc(COc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
Show InChI InChI=1S/C29H33N7O3/c1-37-16-14-31-15-17-38-23-12-10-21(11-13-23)19-39-25-9-5-4-8-24(25)33-28-27-29(35-26(18-30)34-28)36(20-32-27)22-6-2-3-7-22/h4-5,8-13,20,22,31H,2-3,6-7,14-17,19H2,1H3,(H,33,34,35)
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n/an/a 230n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50156087
PNG
(9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...)
Show SMILES CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1
Show InChI InChI=1S/C25H32N8O/c1-31-12-14-32(15-13-31)11-6-16-34-21-10-5-4-9-20(21)28-24-23-25(30-22(17-26)29-24)33(18-27-23)19-7-2-3-8-19/h4-5,9-10,18-19H,2-3,6-8,11-16H2,1H3,(H,28,29,30)
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n/an/a 260n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50156086
PNG
(9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENY...)
Show SMILES N#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50156092
PNG
(9-Cyclopentyl-6-(2-{4-[2-(2-methoxy-ethylamino)-et...)
Show SMILES COCCNCCOc1ccc(COc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
Show InChI InChI=1S/C29H33N7O3/c1-37-16-14-31-15-17-38-23-12-10-21(11-13-23)19-39-25-9-5-4-8-24(25)33-28-27-29(35-26(18-30)34-28)36(20-32-27)22-6-2-3-7-22/h4-5,8-13,20,22,31H,2-3,6-7,14-17,19H2,1H3,(H,33,34,35)
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n/an/a 71n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair