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64 similar compounds to monomer 50314161

Compile data set for download or QSAR
Wt: 732.9
BDBM50314159
Wt: 656.8
BDBM50314160
Wt: 642.7
BDBM50314162
Wt: 718.8
BDBM50314163
Wt: 682.8
BDBM50314164
Wt: 712.8
BDBM50314165
Wt: 698.8
BDBM50314166
Wt: 772.9
BDBM50314167
Wt: 696.8
BDBM50314168
Wt: 752.9
BDBM50314169
Wt: 710.9
BDBM50314170
Wt: 750.9
BDBM50314171
Wt: 615.7
BDBM50314172
Wt: 682.9
BDBM50314173
Wt: 599.7
BDBM50314174
Displayed 1 to 15 (of 64 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50314159,50314160,50314162,50314163,50314164,50314165,50314166,50314167,50314168,50314169,50314170,50314171,50314172,50314173,50314174   
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))
BDBM50314159
PNG
(1-(1-(3-(3-(3-(2-(benzyl(methyl)amino)ethylthio)-4...)
Show SMILES CN(CCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H47F3N6O3S2/c1-41(25-27-8-4-3-5-9-27)22-23-49-33-24-28(11-12-31(33)36(37,38)39)35-30-26-43(50(2,47)48)21-15-32(30)45(40-35)18-7-16-42-19-13-29(14-20-42)44-17-6-10-34(44)46/h3-5,8-9,11-12,24,29H,6-7,10,13-23,25-26H2,1-2H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314168
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O3S2/c1-47(44,45)40-20-12-29-27(24-40)32(37-42(29)17-6-15-39-18-10-26(11-19-39)41-16-5-7-31(41)43)25-8-9-28(33(34,35)36)30(23-25)46-22-21-38-13-3-2-4-14-38/h8-9,23,26H,2-7,10-22,24H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314162
PNG
(1-(1-(3-(3-(3-(2-(methylamino)ethylthio)-4-(triflu...)
Show SMILES CNCCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H41F3N6O3S2/c1-33-11-18-42-26-19-21(6-7-24(26)29(30,31)32)28-23-20-36(43(2,40)41)17-10-25(23)38(34-28)14-4-12-35-15-8-22(9-16-35)37-13-3-5-27(37)39/h6-7,19,22,33H,3-5,8-18,20H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314163
PNG
(1-(1-(3-(3-(3-(2-(benzylamino)ethylthio)-4-(triflu...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNCc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H45F3N6O3S2/c1-49(46,47)42-21-14-31-29(25-42)34(40-44(31)18-6-16-41-19-12-28(13-20-41)43-17-5-9-33(43)45)27-10-11-30(35(36,37)38)32(23-27)48-22-15-39-24-26-7-3-2-4-8-26/h2-4,7-8,10-11,23,28,39H,5-6,9,12-22,24-25H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314164
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(pyrrolidin-1-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C32H45F3N6O3S2/c1-46(43,44)39-19-11-28-26(23-39)31(24-7-8-27(32(33,34)35)29(22-24)45-21-20-37-12-2-3-13-37)36-41(28)16-5-14-38-17-9-25(10-18-38)40-15-4-6-30(40)42/h7-8,22,25H,2-6,9-21,23H2,1H3
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n/an/a 410n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314165
PNG
(1-(1-(3-(3-(3-(2-(4-hydroxypiperidin-1-yl)ethylthi...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(O)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O4S2/c1-48(45,46)40-19-11-29-27(23-40)32(37-42(29)14-3-12-38-15-7-25(8-16-38)41-13-2-4-31(41)44)24-5-6-28(33(34,35)36)30(22-24)47-21-20-39-17-9-26(43)10-18-39/h5-6,22,25-26,43H,2-4,7-21,23H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314166
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-morpholinoethy...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCOCC2)c1)C(F)(F)F
Show InChI InChI=1S/C32H45F3N6O4S2/c1-47(43,44)39-15-9-28-26(23-39)31(36-41(28)12-3-10-37-13-7-25(8-14-37)40-11-2-4-30(40)42)24-5-6-27(32(33,34)35)29(22-24)46-21-18-38-16-19-45-20-17-38/h5-6,22,25H,2-4,7-21,23H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314167
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(4-phenylpiper...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(CC2)c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C39H51F3N6O3S2/c1-53(50,51)46-24-16-35-33(28-46)38(43-48(35)19-6-17-44-22-14-32(15-23-44)47-18-5-9-37(47)49)31-10-11-34(39(40,41)42)36(27-31)52-26-25-45-20-12-30(13-21-45)29-7-3-2-4-8-29/h2-4,7-8,10-11,27,30,32H,5-6,9,12-26,28H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314168
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O3S2/c1-47(44,45)40-20-12-29-27(24-40)32(37-42(29)17-6-15-39-18-10-26(11-19-39)41-16-5-7-31(41)43)25-8-9-28(33(34,35)36)30(23-25)46-22-21-38-13-3-2-4-14-38/h8-9,23,26H,2-7,10-22,24H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314169
PNG
(1-(1-(3-(3-(3-(2-(4-tert-butylpiperidin-1-yl)ethyl...)
Show SMILES CC(C)(C)C1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CCCN3CCC(CC3)N3CCCC3=O)c3CCN(Cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C37H55F3N6O3S2/c1-36(2,3)28-10-18-43(19-11-28)23-24-50-33-25-27(8-9-31(33)37(38,39)40)35-30-26-44(51(4,48)49)22-14-32(30)46(41-35)17-6-15-42-20-12-29(13-21-42)45-16-5-7-34(45)47/h8-9,25,28-29H,5-7,10-24,26H2,1-4H3
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n/an/a 160n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314170
PNG
(1-(1-(3-(3-(3-(2-(4-methylpiperidin-1-yl)ethylthio...)
Show SMILES CC1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CCCN3CCC(CC3)N3CCCC3=O)c3CCN(Cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C34H49F3N6O3S2/c1-25-8-16-40(17-9-25)21-22-47-31-23-26(6-7-29(31)34(35,36)37)33-28-24-41(48(2,45)46)20-12-30(28)43(38-33)15-4-13-39-18-10-27(11-19-39)42-14-3-5-32(42)44/h6-7,23,25,27H,3-5,8-22,24H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314171
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(octahydroisoq...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC3CCCCC3C2)c1)C(F)(F)F
Show InChI InChI=1/C37H53F3N6O3S2/c1-51(48,49)44-21-14-33-31(26-44)36(41-46(33)17-5-15-42-19-12-30(13-20-42)45-16-4-8-35(45)47)28-9-10-32(37(38,39)40)34(24-28)50-23-22-43-18-11-27-6-2-3-7-29(27)25-43/h9-10,24,27,29-30H,2-8,11-23,25-26H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314172
PNG
(4-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)e...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O3S2/c1-41(37,38)35-13-8-25-23(21-35)27(32-36(25)12-5-11-34-14-17-39-18-15-34)22-6-7-24(28(29,30)31)26(20-22)40-19-16-33-9-3-2-4-10-33/h6-7,20H,2-5,8-19,21H2,1H3
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n/an/a 810n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314173
PNG
(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H49F3N6O2S2/c1-46(43,44)41-21-12-30-28(25-41)32(37-42(30)18-7-15-39-19-10-27(11-20-39)40-16-5-6-17-40)26-8-9-29(33(34,35)36)31(24-26)45-23-22-38-13-3-2-4-14-38/h8-9,24,27H,2-7,10-23,25H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314174
PNG
(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O2S2/c1-40(37,38)35-17-10-25-23(21-35)27(32-36(25)16-7-15-33-13-5-6-14-33)22-8-9-24(28(29,30)31)26(20-22)39-19-18-34-11-3-2-4-12-34/h8-9,20H,2-7,10-19,21H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314163
PNG
(1-(1-(3-(3-(3-(2-(benzylamino)ethylthio)-4-(triflu...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNCc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H45F3N6O3S2/c1-49(46,47)42-21-14-31-29(25-42)34(40-44(31)18-6-16-41-19-12-28(13-20-41)43-17-5-9-33(43)45)27-10-11-30(35(36,37)38)32(23-27)48-22-15-39-24-26-7-3-2-4-8-26/h2-4,7-8,10-11,23,28,39H,5-6,9,12-22,24-25H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314164
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(pyrrolidin-1-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C32H45F3N6O3S2/c1-46(43,44)39-19-11-28-26(23-39)31(24-7-8-27(32(33,34)35)29(22-24)45-21-20-37-12-2-3-13-37)36-41(28)16-5-14-38-17-9-25(10-18-38)40-15-4-6-30(40)42/h7-8,22,25H,2-6,9-21,23H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314165
PNG
(1-(1-(3-(3-(3-(2-(4-hydroxypiperidin-1-yl)ethylthi...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(O)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O4S2/c1-48(45,46)40-19-11-29-27(23-40)32(37-42(29)14-3-12-38-15-7-25(8-16-38)41-13-2-4-31(41)44)24-5-6-28(33(34,35)36)30(22-24)47-21-20-39-17-9-26(43)10-18-39/h5-6,22,25-26,43H,2-4,7-21,23H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314166
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-morpholinoethy...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCOCC2)c1)C(F)(F)F
Show InChI InChI=1S/C32H45F3N6O4S2/c1-47(43,44)39-15-9-28-26(23-39)31(36-41(28)12-3-10-37-13-7-25(8-14-37)40-11-2-4-30(40)42)24-5-6-27(32(33,34)35)29(22-24)46-21-18-38-16-19-45-20-17-38/h5-6,22,25H,2-4,7-21,23H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314167
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(4-phenylpiper...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(CC2)c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C39H51F3N6O3S2/c1-53(50,51)46-24-16-35-33(28-46)38(43-48(35)19-6-17-44-22-14-32(15-23-44)47-18-5-9-37(47)49)31-10-11-34(39(40,41)42)36(27-31)52-26-25-45-20-12-30(13-21-45)29-7-3-2-4-8-29/h2-4,7-8,10-11,27,30,32H,5-6,9,12-26,28H2,1H3
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n/an/a 950n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314168
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O3S2/c1-47(44,45)40-20-12-29-27(24-40)32(37-42(29)17-6-15-39-18-10-26(11-19-39)41-16-5-7-31(41)43)25-8-9-28(33(34,35)36)30(23-25)46-22-21-38-13-3-2-4-14-38/h8-9,23,26H,2-7,10-22,24H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314169
PNG
(1-(1-(3-(3-(3-(2-(4-tert-butylpiperidin-1-yl)ethyl...)
Show SMILES CC(C)(C)C1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CCCN3CCC(CC3)N3CCCC3=O)c3CCN(Cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C37H55F3N6O3S2/c1-36(2,3)28-10-18-43(19-11-28)23-24-50-33-25-27(8-9-31(33)37(38,39)40)35-30-26-44(51(4,48)49)22-14-32(30)46(41-35)17-6-15-42-20-12-29(13-21-42)45-16-5-7-34(45)47/h8-9,25,28-29H,5-7,10-24,26H2,1-4H3
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n/an/a 330n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314170
PNG
(1-(1-(3-(3-(3-(2-(4-methylpiperidin-1-yl)ethylthio...)
Show SMILES CC1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CCCN3CCC(CC3)N3CCCC3=O)c3CCN(Cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C34H49F3N6O3S2/c1-25-8-16-40(17-9-25)21-22-47-31-23-26(6-7-29(31)34(35,36)37)33-28-24-41(48(2,45)46)20-12-30(28)43(38-33)15-4-13-39-18-10-27(11-19-39)42-14-3-5-32(42)44/h6-7,23,25,27H,3-5,8-22,24H2,1-2H3
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n/an/a 810n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314171
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(octahydroisoq...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC3CCCCC3C2)c1)C(F)(F)F
Show InChI InChI=1/C37H53F3N6O3S2/c1-51(48,49)44-21-14-33-31(26-44)36(41-46(33)17-5-15-42-19-12-30(13-20-42)45-16-4-8-35(45)47)28-9-10-32(37(38,39)40)34(24-28)50-23-22-43-18-11-27-6-2-3-7-29(27)25-43/h9-10,24,27,29-30H,2-8,11-23,25-26H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314172
PNG
(4-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)e...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O3S2/c1-41(37,38)35-13-8-25-23(21-35)27(32-36(25)12-5-11-34-14-17-39-18-15-34)22-6-7-24(28(29,30)31)26(20-22)40-19-16-33-9-3-2-4-10-33/h6-7,20H,2-5,8-19,21H2,1H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314173
PNG
(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H49F3N6O2S2/c1-46(43,44)41-21-12-30-28(25-41)32(37-42(30)18-7-15-39-19-10-27(11-20-39)40-16-5-6-17-40)26-8-9-29(33(34,35)36)31(24-26)45-23-22-38-13-3-2-4-14-38/h8-9,24,27H,2-7,10-23,25H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314174
PNG
(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylth...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O2S2/c1-40(37,38)35-17-10-25-23(21-35)27(32-36(25)16-7-15-33-13-5-6-14-33)22-8-9-24(28(29,30)31)26(20-22)39-19-18-34-11-3-2-4-12-34/h8-9,20H,2-7,10-19,21H2,1H3
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n/an/a 470n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314168
PNG
(1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H47F3N6O3S2/c1-47(44,45)40-20-12-29-27(24-40)32(37-42(29)17-6-15-39-18-10-26(11-19-39)41-16-5-7-31(41)43)25-8-9-28(33(34,35)36)30(23-25)46-22-21-38-13-3-2-4-14-38/h8-9,23,26H,2-7,10-22,24H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysis


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314160
PNG
(1-(1-(3-(3-(3-(2-(dimethylamino)ethylthio)-4-(trif...)
Show SMILES CN(C)CCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C30H43F3N6O3S2/c1-35(2)18-19-43-27-20-22(7-8-25(27)30(31,32)33)29-24-21-37(44(3,41)42)17-11-26(24)39(34-29)14-5-12-36-15-9-23(10-16-36)38-13-4-6-28(38)40/h7-8,20,23H,4-6,9-19,21H2,1-3H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair