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57 similar compounds to monomer 50314239

Compile data set for download or QSAR
Wt: 712.8
BDBM50314165
Wt: 698.8
BDBM50314166
Wt: 772.9
BDBM50314167
Wt: 752.9
BDBM50314169
Wt: 710.9
BDBM50314170
Wt: 750.9
BDBM50314171
Wt: 615.7
BDBM50314172
Wt: 748.8
BDBM50314177
Wt: 764.8
BDBM50314178
Wt: 766.8
BDBM50314179
Wt: 791.9
BDBM50314180
Wt: 762.9
BDBM50314181
Wt: 755.9
BDBM50314182
Wt: 629.8
BDBM50314183
Wt: 615.7
BDBM50314184
Displayed 1 to 15 (of 57 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50314165,50314166,50314167,50314169,50314170,50314171,50314172,50314177,50314178,50314179,50314180,50314181,50314182,50314183,50314184   
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))
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))
BDBM50314181
PNG
(CHEMBL1089278 | N-(2-(5-(1-(2-hydroxy-3-(4-(2-oxop...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)Cc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C36H45F3N6O5S2/c1-52(49,50)43-18-13-31-29(24-43)35(41-45(31)23-28(46)22-42-16-11-27(12-17-42)44-15-5-8-34(44)48)26-9-10-30(36(37,38)39)32(21-26)51-19-14-40-33(47)20-25-6-3-2-4-7-25/h2-4,6-7,9-10,21,27-28,46H,5,8,11-20,22-24H2,1H3,(H,40,47)
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n/an/a 130n/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))
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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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=1S/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))
BDBM50314177
PNG
(CHEMBL1089275 | rac-N-(2-(5-(1-(2-hydroxy-3-(4-(2-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H43F3N6O5S2/c1-51(48,49)42-18-13-30-28(23-42)33(40-44(30)22-27(45)21-41-16-11-26(12-17-41)43-15-5-8-32(43)46)25-9-10-29(35(36,37)38)31(20-25)50-19-14-39-34(47)24-6-3-2-4-7-24/h2-4,6-7,9-10,20,26-27,45H,5,8,11-19,21-23H2,1H3,(H,39,47)
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n/an/a 380n/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))
BDBM50314178
PNG
(CHEMBL1089276 | rac-4-hydroxy-N-(2-(5-(1-(2-hydrox...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)c2ccc(O)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H43F3N6O6S2/c1-52(49,50)42-17-12-30-28(22-42)33(40-44(30)21-27(46)20-41-15-10-25(11-16-41)43-14-2-3-32(43)47)24-6-9-29(35(36,37)38)31(19-24)51-18-13-39-34(48)23-4-7-26(45)8-5-23/h4-9,19,25,27,45-46H,2-3,10-18,20-22H2,1H3,(H,39,48)
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n/an/a 390n/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))
BDBM50314179
PNG
(CHEMBL1089277 | rac-4-fluoro-N-(2-(5-(1-(2-hydroxy...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)c2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H42F4N6O5S2/c1-52(49,50)43-17-12-30-28(22-43)33(41-45(30)21-27(46)20-42-15-10-26(11-16-42)44-14-2-3-32(44)47)24-6-9-29(35(37,38)39)31(19-24)51-18-13-40-34(48)23-4-7-25(36)8-5-23/h4-9,19,26-27,46H,2-3,10-18,20-22H2,1H3,(H,40,48)
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n/an/a 360n/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))
BDBM50314180
PNG
(CHEMBL1076796 | rac-4-(dimethylamino)-N-(2-(5-(1-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCSc1cc(ccc1C(F)(F)F)-c1nn(CC(O)CN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C37H48F3N7O5S2/c1-43(2)27-9-6-25(7-10-27)36(50)41-15-20-53-33-21-26(8-11-31(33)37(38,39)40)35-30-24-45(54(3,51)52)19-14-32(30)47(42-35)23-29(48)22-44-17-12-28(13-18-44)46-16-4-5-34(46)49/h6-11,21,28-29,48H,4-5,12-20,22-24H2,1-3H3,(H,41,50)
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n/an/a 530n/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))
BDBM50314181
PNG
(CHEMBL1089278 | N-(2-(5-(1-(2-hydroxy-3-(4-(2-oxop...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)Cc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C36H45F3N6O5S2/c1-52(49,50)43-18-13-31-29(24-43)35(41-45(31)23-28(46)22-42-16-11-27(12-17-42)44-15-5-8-34(44)48)26-9-10-30(36(37,38)39)32(21-26)51-19-14-40-33(47)20-25-6-3-2-4-7-25/h2-4,6-7,9-10,21,27-28,46H,5,8,11-20,22-24H2,1H3,(H,40,47)
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n/an/a 130n/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))
BDBM50314182
PNG
(CHEMBL1089279 | rac-N-(2-(5-(1-(2-hydroxy-3-(4-(2-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)C2CCCNC2)c1)C(F)(F)F
Show InChI InChI=1S/C34H48F3N7O5S2/c1-51(48,49)42-16-10-29-27(22-42)32(40-44(29)21-26(45)20-41-14-8-25(9-15-41)43-13-3-5-31(43)46)23-6-7-28(34(35,36)37)30(18-23)50-17-12-39-33(47)24-4-2-11-38-19-24/h6-7,18,24-26,38,45H,2-5,8-17,19-22H2,1H3,(H,39,47)
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n/an/a 420n/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 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))
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=1S/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))
BDBM50314183
PNG
((+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C29H42F3N5O3S2/c1-42(39,40)36-15-10-26-24(21-36)28(33-37(26)20-23(38)19-35-13-6-3-7-14-35)22-8-9-25(29(30,31)32)27(18-22)41-17-16-34-11-4-2-5-12-34/h8-9,18,23,38H,2-7,10-17,19-21H2,1H3
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n/an/a 204n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314184
PNG
((+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O3S2/c1-41(38,39)35-14-9-25-23(20-35)27(32-36(25)19-22(37)18-34-12-5-6-13-34)21-7-8-24(28(29,30)31)26(17-21)40-16-15-33-10-3-2-4-11-33/h7-8,17,22,37H,2-6,9-16,18-20H2,1H3
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n/an/a 335n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314183
PNG
((+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C29H42F3N5O3S2/c1-42(39,40)36-15-10-26-24(21-36)28(33-37(26)20-23(38)19-35-13-6-3-7-14-35)22-8-9-25(29(30,31)32)27(18-22)41-17-16-34-11-4-2-5-12-34/h8-9,18,23,38H,2-7,10-17,19-21H2,1H3
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n/an/a 335n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10 fragment after 24 hrs by western blot analysis


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314184
PNG
((+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O3S2/c1-41(38,39)35-14-9-25-23(20-35)27(32-36(25)19-22(37)18-34-12-5-6-13-34)21-7-8-24(28(29,30)31)26(17-21)40-16-15-33-10-3-2-4-11-33/h7-8,17,22,37H,2-6,9-16,18-20H2,1H3
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n/an/a 401n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10 fragment after 24 hrs by western blot analysis


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314181
PNG
(CHEMBL1089278 | N-(2-(5-(1-(2-hydroxy-3-(4-(2-oxop...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)Cc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C36H45F3N6O5S2/c1-52(49,50)43-18-13-31-29(24-43)35(41-45(31)23-28(46)22-42-16-11-27(12-17-42)44-15-5-8-34(44)48)26-9-10-30(36(37,38)39)32(21-26)51-19-14-40-33(47)20-25-6-3-2-4-7-25/h2-4,6-7,9-10,21,27-28,46H,5,8,11-20,22-24H2,1H3,(H,40,47)
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n/an/a>1.00E+4n/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))
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