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PubMed code 19783435

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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 S


(Homo sapiens (Human))		BDBM50299206
PNG
((S)-1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phen...)
Show SMILES CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C35H43Cl2N5O3S/c1-39-16-11-26(12-17-39)27-13-18-40(19-14-27)22-31(43)23-42-34-15-20-41(46(2,44)45)24-32(34)35(38-42)29-7-10-33(37)28(21-29)6-3-25-4-8-30(36)9-5-25/h4-5,7-10,21,26-27,31,43H,11-20,22-24H2,1-2H3/t31-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299203
PNG
((S)-tert-butyl 1'-(3-(3-(4-chloro-3-((4-chlorophen...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C39H49Cl2N5O5S/c1-39(2,3)51-38(48)44-20-15-29(16-21-44)28-13-18-43(19-14-28)24-33(47)25-46-36-17-22-45(52(4,49)50)26-34(36)37(42-46)31-9-12-35(41)30(23-31)8-5-27-6-10-32(40)11-7-27/h6-7,9-12,23,28-29,33,47H,13-22,24-26H2,1-4H3/t33-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299205
PNG
((S)-1-(4,4'-bipiperidin-1-yl)-3-(3-(4-chloro-3-((4...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)C1CCNCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H41Cl2N5O3S/c1-45(43,44)40-19-14-33-31(23-40)34(28-6-9-32(36)27(20-28)5-2-24-3-7-29(35)8-4-24)38-41(33)22-30(42)21-39-17-12-26(13-18-39)25-10-15-37-16-11-25/h3-4,6-9,20,25-26,30,37,42H,10-19,21-23H2,1H3/t30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299186
PNG
(CHEMBL573418 | methyl 1-(3-(3-(4-chloro-3-((4-chlo...)
Show SMILES COC(=O)C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H34Cl2N4O5S/c1-42-31(39)22-11-14-35(15-12-22)18-26(38)19-37-29-13-16-36(43(2,40)41)20-27(29)30(34-37)24-7-10-28(33)23(17-24)6-3-21-4-8-25(32)9-5-21/h4-5,7-10,17,22,26,38H,11-16,18-20H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299204
PNG
((S)-1-(1'-(3-(3-(4-chloro-3-((4-chlorophenyl)ethyn...)
Show SMILES CC(=O)N1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C36H43Cl2N5O4S/c1-25(44)41-18-13-28(14-19-41)27-11-16-40(17-12-27)22-32(45)23-43-35-15-20-42(48(2,46)47)24-33(35)36(39-43)30-7-10-34(38)29(21-30)6-3-26-4-8-31(37)9-5-26/h4-5,7-10,21,27-28,32,45H,11-20,22-24H2,1-2H3/t32-/m0/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299198
PNG
(CHEMBL573474 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C36H38Cl3N5O3S/c1-48(45,46)43-16-13-35-31(25-43)36(41-44(35)15-2-14-42-17-19-47-20-18-42)30-10-12-32(37)29(22-30)9-7-26-3-5-27(6-4-26)23-40-24-28-8-11-33(38)34(39)21-28/h3-6,8,10-12,21-22,40H,2,13-20,23-25H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299185
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H32Cl2N4O3S/c1-39(37,38)34-16-13-28-26(20-34)29(32-35(28)19-25(36)18-33-14-3-2-4-15-33)23-9-12-27(31)22(17-23)8-5-21-6-10-24(30)11-7-21/h6-7,9-12,17,25,36H,2-4,13-16,18-20H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299201
PNG
((R)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1...)
Show SMILES COC(=O)[C@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H42ClN5O5S/c1-48-38(45)37(30-7-4-3-5-8-30)40-26-29-11-9-28(10-12-29)13-14-31-25-32(15-16-34(31)39)36-33-27-43(50(2,46)47)20-17-35(33)44(41-36)19-6-18-42-21-23-49-24-22-42/h3-5,7-12,15-16,25,37,40H,6,17-24,26-27H2,1-2H3/t37-/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299200
PNG
((R)-2-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-mor...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C37H42ClN5O4S/c1-48(45,46)42-19-16-36-33(26-42)37(40-43(36)18-5-17-41-20-22-47-23-21-41)32-14-15-34(38)31(24-32)13-12-28-8-10-29(11-9-28)25-39-35(27-44)30-6-3-2-4-7-30/h2-4,6-11,14-15,24,35,39,44H,5,16-23,25-27H2,1H3/t35-/m0/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299187
PNG
(1-(3-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)pheny...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33Cl2N5O4S/c1-42(40,41)36-15-12-28-26(19-36)29(34-37(28)18-25(38)17-35-13-10-21(11-14-35)30(33)39)23-6-9-27(32)22(16-23)5-2-20-3-7-24(31)8-4-20/h3-4,6-9,16,21,25,38H,10-15,17-19H2,1H3,(H2,33,39)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299202
PNG
((S)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1...)
Show SMILES COC(=O)[C@@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H42ClN5O5S/c1-48-38(45)37(30-7-4-3-5-8-30)40-26-29-11-9-28(10-12-29)13-14-31-25-32(15-16-34(31)39)36-33-27-43(50(2,46)47)20-17-35(33)44(41-36)19-6-18-42-21-23-49-24-22-42/h3-5,7-12,15-16,25,37,40H,6,17-24,26-27H2,1-2H3/t37-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299182
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O4S/c1-39(36,37)33-11-10-27-25(19-33)28(31-34(27)18-24(35)17-32-12-14-38-15-13-32)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,35H,10-15,17-19H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299197
PNG
(CHEMBL573636 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-18-15-35-33(26-42)36(40-43(35)17-2-16-41-19-21-46-22-20-41)31-11-14-34(38)30(23-31)10-7-27-3-5-28(6-4-27)24-39-25-29-8-12-32(37)13-9-29/h3-6,8-9,11-14,23,39H,2,15-22,24-26H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299183
PNG
(CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299189
PNG
(CHEMBL573421 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C35H38ClN5O5S2/c1-47(42,43)40-19-16-34-32(26-40)35(38-41(34)18-5-17-39-20-22-46-23-21-39)30-14-15-33(36)29(24-30)13-12-27-8-10-28(11-9-27)25-37-48(44,45)31-6-3-2-4-7-31/h2-4,6-11,14-15,24,37H,5,16-23,25-26H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299199
PNG
((+/-)-N-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-m...)
Show SMILES CC(NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-28(31-7-4-3-5-8-31)39-26-30-11-9-29(10-12-30)13-14-32-25-33(15-16-35(32)38)37-34-27-42(47(2,44)45)20-17-36(34)43(40-37)19-6-18-41-21-23-46-24-22-41/h3-5,7-12,15-16,25,28,39H,6,17-24,26-27H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299205
PNG
((S)-1-(4,4'-bipiperidin-1-yl)-3-(3-(4-chloro-3-((4...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)C1CCNCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H41Cl2N5O3S/c1-45(43,44)40-19-14-33-31(23-40)34(28-6-9-32(36)27(20-28)5-2-24-3-7-29(35)8-4-24)38-41(33)22-30(42)21-39-17-12-26(13-18-39)25-10-15-37-16-11-25/h3-4,6-9,20,25-26,30,37,42H,10-19,21-23H2,1H3/t30-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299196
PNG
(CHEMBL573657 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C37H42ClN5O4S/c1-46-33-13-9-30(10-14-33)26-39-25-29-6-4-28(5-7-29)8-11-31-24-32(12-15-35(31)38)37-34-27-42(48(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-47-23-21-41/h4-7,9-10,12-15,24,39H,3,16-23,25-27H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299190
PNG
(CHEMBL573422 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C36H38ClN5O4S/c1-47(44,45)41-19-16-34-32(26-41)35(39-42(34)18-5-17-40-20-22-46-23-21-40)31-14-15-33(37)30(24-31)13-12-27-8-10-28(11-9-27)25-38-36(43)29-6-3-2-4-7-29/h2-4,6-11,14-15,24H,5,16-23,25-26H2,1H3,(H,38,43)
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n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299195
PNG
(CHEMBL573632 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES Cc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-28-4-6-30(7-5-28)25-39-26-31-10-8-29(9-11-31)12-13-32-24-33(14-15-35(32)38)37-34-27-42(47(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-46-23-21-41/h4-11,14-15,24,39H,3,16-23,25-27H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299184
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCNCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31Cl2N5O3S/c1-39(37,38)34-13-10-27-25(19-34)28(32-35(27)18-24(36)17-33-14-11-31-12-15-33)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,31,36H,10-15,17-19H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299192
PNG
(CHEMBL573655 | N-benzyl-1-(4-((2-chloro-5-(5-(meth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C36H40ClN5O3S/c1-46(43,44)41-19-16-35-33(27-41)36(39-42(35)18-5-17-40-20-22-45-23-21-40)32-14-15-34(37)31(24-32)13-12-28-8-10-30(11-9-28)26-38-25-29-6-3-2-4-7-29/h2-4,6-11,14-15,24,38H,5,16-23,25-27H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299188
PNG
((4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholin...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN)cc1
Show InChI InChI=1S/C29H34ClN5O3S/c1-39(36,37)34-14-11-28-26(21-34)29(32-35(28)13-2-12-33-15-17-38-18-16-33)25-9-10-27(30)24(19-25)8-7-22-3-5-23(20-31)6-4-22/h3-6,9-10,19H,2,11-18,20-21,31H2,1H3
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n/an/a 490n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299194
PNG
(CHEMBL573559 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCCc2ccccc2)cc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-47(44,45)42-21-17-36-34(28-42)37(40-43(36)20-5-19-41-22-24-46-25-23-41)33-14-15-35(38)32(26-33)13-12-30-8-10-31(11-9-30)27-39-18-16-29-6-3-2-4-7-29/h2-4,6-11,14-15,26,39H,5,16-25,27-28H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299193
PNG
(CHEMBL573656 | N-benzyl-1-(4-((2-chloro-5-(5-(meth...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C37H42ClN5O3S/c1-40(26-30-7-4-3-5-8-30)27-31-11-9-29(10-12-31)13-14-32-25-33(15-16-35(32)38)37-34-28-42(47(2,44)45)20-17-36(34)43(39-37)19-6-18-41-21-23-46-24-22-41/h3-5,7-12,15-16,25H,6,17-24,26-28H2,1-2H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299206
PNG
((S)-1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phen...)
Show SMILES CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C35H43Cl2N5O3S/c1-39-16-11-26(12-17-39)27-13-18-40(19-14-27)22-31(43)23-42-34-15-20-41(46(2,44)45)24-32(34)35(38-42)29-7-10-33(37)28(21-29)6-3-25-4-8-30(36)9-5-25/h4-5,7-10,21,26-27,31,43H,11-20,22-24H2,1-2H3/t31-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299196
PNG
(CHEMBL573657 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C37H42ClN5O4S/c1-46-33-13-9-30(10-14-33)26-39-25-29-6-4-28(5-7-29)8-11-31-24-32(12-15-35(31)38)37-34-27-42(48(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-47-23-21-41/h4-7,9-10,12-15,24,39H,3,16-23,25-27H2,1-2H3
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n/an/a 820n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299199
PNG
((+/-)-N-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-m...)
Show SMILES CC(NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-28(31-7-4-3-5-8-31)39-26-30-11-9-29(10-12-30)13-14-32-25-33(15-16-35(32)38)37-34-27-42(47(2,44)45)20-17-36(34)43(40-37)19-6-18-41-21-23-46-24-22-41/h3-5,7-12,15-16,25,28,39H,6,17-24,26-27H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299195
PNG
(CHEMBL573632 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES Cc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-28-4-6-30(7-5-28)25-39-26-31-10-8-29(9-11-31)12-13-32-24-33(14-15-35(32)38)37-34-27-42(47(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-46-23-21-41/h4-11,14-15,24,39H,3,16-23,25-27H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299191
PNG
(1-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morphol...)
Show SMILES CNCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C30H36ClN5O3S/c1-32-21-24-6-4-23(5-7-24)8-9-25-20-26(10-11-28(25)31)30-27-22-35(40(2,37)38)15-12-29(27)36(33-30)14-3-13-34-16-18-39-19-17-34/h4-7,10-11,20,32H,3,12-19,21-22H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299197
PNG
(CHEMBL573636 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-18-15-35-33(26-42)36(40-43(35)17-2-16-41-19-21-46-22-20-41)31-11-14-34(38)30(23-31)10-7-27-3-5-28(6-4-27)24-39-25-29-8-12-32(37)13-9-29/h3-6,8-9,11-14,23,39H,2,15-22,24-26H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299200
PNG
((R)-2-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-mor...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C37H42ClN5O4S/c1-48(45,46)42-19-16-36-33(26-42)37(40-43(36)18-5-17-41-20-22-47-23-21-41)32-14-15-34(38)31(24-32)13-12-28-8-10-29(11-9-28)25-39-35(27-44)30-6-3-2-4-7-30/h2-4,6-11,14-15,24,35,39,44H,5,16-23,25-27H2,1H3/t35-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299198
PNG
(CHEMBL573474 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C36H38Cl3N5O3S/c1-48(45,46)43-16-13-35-31(25-43)36(41-44(35)15-2-14-42-17-19-47-20-18-42)30-10-12-32(37)29(22-30)9-7-26-3-5-27(6-4-26)23-40-24-28-8-11-33(38)34(39)21-28/h3-6,8,10-12,21-22,40H,2,13-20,23-25H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299192
PNG
(CHEMBL573655 | N-benzyl-1-(4-((2-chloro-5-(5-(meth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C36H40ClN5O3S/c1-46(43,44)41-19-16-35-33(27-41)36(39-42(35)18-5-17-40-20-22-45-23-21-40)32-14-15-34(37)31(24-32)13-12-28-8-10-30(11-9-28)26-38-25-29-6-3-2-4-7-29/h2-4,6-11,14-15,24,38H,5,16-23,25-27H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299194
PNG
(CHEMBL573559 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCCc2ccccc2)cc1
Show InChI InChI=1S/C37H42ClN5O3S/c1-47(44,45)42-21-17-36-34(28-42)37(40-43(36)20-5-19-41-22-24-46-25-23-41)33-14-15-35(38)32(26-33)13-12-30-8-10-31(11-9-30)27-39-18-16-29-6-3-2-4-7-29/h2-4,6-11,14-15,26,39H,5,16-25,27-28H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299201
PNG
((R)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1...)
Show SMILES COC(=O)[C@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H42ClN5O5S/c1-48-38(45)37(30-7-4-3-5-8-30)40-26-29-11-9-28(10-12-29)13-14-31-25-32(15-16-34(31)39)36-33-27-43(50(2,46)47)20-17-35(33)44(41-36)19-6-18-42-21-23-49-24-22-42/h3-5,7-12,15-16,25,37,40H,6,17-24,26-27H2,1-2H3/t37-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299189
PNG
(CHEMBL573421 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C35H38ClN5O5S2/c1-47(42,43)40-19-16-34-32(26-40)35(38-41(34)18-5-17-39-20-22-46-23-21-39)30-14-15-33(36)29(24-30)13-12-27-8-10-28(11-9-27)25-37-48(44,45)31-6-3-2-4-7-31/h2-4,6-11,14-15,24,37H,5,16-23,25-26H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299190
PNG
(CHEMBL573422 | N-(4-((2-chloro-5-(5-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C36H38ClN5O4S/c1-47(44,45)41-19-16-34-32(26-41)35(39-42(34)18-5-17-40-20-22-46-23-21-40)31-14-15-33(37)30(24-31)13-12-27-8-10-28(11-9-27)25-38-36(43)29-6-3-2-4-7-29/h2-4,6-11,14-15,24H,5,16-23,25-26H2,1H3,(H,38,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299182
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O4S/c1-39(36,37)33-11-10-27-25(19-33)28(31-34(27)18-24(35)17-32-12-14-38-15-13-32)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,35H,10-15,17-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299203
PNG
((S)-tert-butyl 1'-(3-(3-(4-chloro-3-((4-chlorophen...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C39H49Cl2N5O5S/c1-39(2,3)51-38(48)44-20-15-29(16-21-44)28-13-18-43(19-14-28)24-33(47)25-46-36-17-22-45(52(4,49)50)26-34(36)37(42-46)31-9-12-35(41)30(23-31)8-5-27-6-10-32(40)11-7-27/h6-7,9-12,23,28-29,33,47H,13-22,24-26H2,1-4H3/t33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299204
PNG
((S)-1-(1'-(3-(3-(4-chloro-3-((4-chlorophenyl)ethyn...)
Show SMILES CC(=O)N1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C36H43Cl2N5O4S/c1-25(44)41-18-13-28(14-19-41)27-11-16-40(17-12-27)22-32(45)23-43-35-15-20-42(48(2,46)47)24-33(35)36(39-43)30-7-10-34(38)29(21-30)6-3-26-4-8-31(37)9-5-26/h4-5,7-10,21,27-28,32,45H,11-20,22-24H2,1-2H3/t32-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299186
PNG
(CHEMBL573418 | methyl 1-(3-(3-(4-chloro-3-((4-chlo...)
Show SMILES COC(=O)C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H34Cl2N4O5S/c1-42-31(39)22-11-14-35(15-12-22)18-26(38)19-37-29-13-16-36(43(2,40)41)20-27(29)30(34-37)24-7-10-28(33)23(17-24)6-3-21-4-8-25(32)9-5-21/h4-5,7-10,17,22,26,38H,11-16,18-20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299184
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCNCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31Cl2N5O3S/c1-39(37,38)34-13-10-27-25(19-34)28(32-35(27)18-24(36)17-33-14-11-31-12-15-33)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,31,36H,10-15,17-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299193
PNG
(CHEMBL573656 | N-benzyl-1-(4-((2-chloro-5-(5-(meth...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C37H42ClN5O3S/c1-40(26-30-7-4-3-5-8-30)27-31-11-9-29(10-12-31)13-14-32-25-33(15-16-35(32)38)37-34-28-42(47(2,44)45)20-17-36(34)43(39-37)19-6-18-41-21-23-46-24-22-41/h3-5,7-12,15-16,25H,6,17-24,26-28H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299191
PNG
(1-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morphol...)
Show SMILES CNCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C30H36ClN5O3S/c1-32-21-24-6-4-23(5-7-24)8-9-25-20-26(10-11-28(25)31)30-27-22-35(40(2,37)38)15-12-29(27)36(33-30)14-3-13-34-16-18-39-19-17-34/h4-7,10-11,20,32H,3,12-19,21-22H2,1-2H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299185
PNG
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H32Cl2N4O3S/c1-39(37,38)34-16-13-28-26(20-34)29(32-35(28)19-25(36)18-33-14-3-2-4-15-33)23-9-12-27(31)22(17-23)8-5-21-6-10-24(30)11-7-21/h6-7,9-12,17,25,36H,2-4,13-16,18-20H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299187
PNG
(1-(3-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)pheny...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33Cl2N5O4S/c1-42(40,41)36-15-12-28-26(19-36)29(34-37(28)18-25(38)17-35-13-10-21(11-14-35)30(33)39)23-6-9-27(32)22(16-23)5-2-20-3-7-24(31)8-4-20/h3-4,6-9,16,21,25,38H,10-15,17-19H2,1H3,(H2,33,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299183
PNG
(CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299202
PNG
((S)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1...)
Show SMILES COC(=O)[C@@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H42ClN5O5S/c1-48-38(45)37(30-7-4-3-5-8-30)40-26-29-11-9-28(10-12-29)13-14-31-25-32(15-16-34(31)39)36-33-27-43(50(2,46)47)20-17-35(33)44(41-36)19-6-18-42-21-23-49-24-22-42/h3-5,7-12,15-16,25,37,40H,6,17-24,26-27H2,1-2H3/t37-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50299188
PNG
((4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholin...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN)cc1
Show InChI InChI=1S/C29H34ClN5O3S/c1-39(36,37)34-14-11-28-26(21-34)29(32-35(28)13-2-12-33-15-17-38-18-16-33)25-9-10-27(30)24(19-25)8-7-22-3-5-23(20-31)6-4-22/h3-6,9-10,19H,2,11-18,20-21,31H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting

Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%