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17 similar compounds to monomer 50221220

Compile data set for download or QSAR
Wt: 628.6
BDBM50182111
Wt: 628.6
BDBM50182120
Wt: 602.6
BDBM50221228
Wt: 626.6
BDBM50221229
Wt: 602.6
BDBM50221230
Wt: 613.5
BDBM50221213
Wt: 602.6
BDBM50221216
Wt: 618.6
BDBM50221215
Wt: 631.7
BDBM50221238
Wt: 615.7
BDBM50221218
Wt: 602.6
BDBM50221219
Wt: 636.1
BDBM50221240
Wt: 636.1
BDBM50221241
Wt: 673.7
BDBM50221221
Wt: 647.0
BDBM50221222
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50182111,50182120,50221228,50221229,50221230,50221213,50221216,50221215,50221238,50221218,50221219,50221240,50221241,50221221,50221222   
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))
BDBM50182111
PNG
(1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-te...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCc2ccccc2C1)-c1ccc(Br)cc1
Show InChI InChI=1/C30H38BrN5O3S/c1-40(38,39)35-17-13-29-28(21-35)30(23-6-8-25(31)9-7-23)32-36(29)20-27(37)19-33-14-11-26(12-15-33)34-16-10-22-4-2-3-5-24(22)18-34/h2-9,26-27,37H,10-21H2,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221221
PNG
(CHEMBL397622 | ethyl 3-(1-(2-hydroxy-3-(5-(methyls...)
Show SMILES CCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
Show InChI InChI=1/C33H38F3N5O5S/c1-3-46-32(43)23-6-9-29-26(16-23)27(17-37-29)21-10-13-39(14-11-21)18-25(42)19-41-30-12-15-40(47(2,44)45)20-28(30)31(38-41)22-4-7-24(8-5-22)33(34,35)36/h4-9,16-17,21,25,37,42H,3,10-15,18-20H2,1-2H3
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n/an/a 27n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221213
PNG
(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(Br)cc1
Show InChI InChI=1/C28H33BrN6O3S/c1-39(37,38)34-14-10-26-25(18-34)27(20-4-6-21(29)7-5-20)32-35(26)17-22(36)16-33-12-8-19(9-13-33)24-15-31-28-23(24)3-2-11-30-28/h2-7,11,15,19,22,36H,8-10,12-14,16-18H2,1H3,(H,30,31)
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n/an/a 195n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221215
PNG
(1-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cc[n+]([O-])cc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,33,39H,6-7,9-11,13,15-16,18H2,1H3
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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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221216
PNG
(1-(4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cccnc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-24(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)23-15-34-25-3-2-11-33-28(23)25/h2-7,11,15,19,22,34,39H,8-10,12-14,16-18H2,1H3
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n/an/a 120n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221218
PNG
(1-(4-(5-methyl-1H-indol-3-yl)piperidin-1-yl)-3-(5-...)
Show SMILES Cc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
Show InChI InChI=1/C31H36F3N5O3S/c1-20-3-8-28-25(15-20)26(16-35-28)21-9-12-37(13-10-21)17-24(40)18-39-29-11-14-38(43(2,41)42)19-27(29)30(36-39)22-4-6-23(7-5-22)31(32,33)34/h3-8,15-16,21,24,35,40H,9-14,17-19H2,1-2H3
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n/an/a 58n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221222
PNG
(1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-te...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1/C29H33BrClN5O3S/c1-40(38,39)35-13-10-28-26(18-35)29(20-2-4-21(30)5-3-20)33-36(28)17-23(37)16-34-11-8-19(9-12-34)25-15-32-27-7-6-22(31)14-24(25)27/h2-7,14-15,19,23,32,37H,8-13,16-18H2,1H3
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n/an/a 54n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221219
PNG
(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-25(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)24-15-34-28-23(24)3-2-11-33-28/h2-7,11,15,19,22,39H,8-10,12-14,16-18H2,1H3,(H,33,34)
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n/an/a 27n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221215
PNG
(1-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cc[n+]([O-])cc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,33,39H,6-7,9-11,13,15-16,18H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221228
PNG
(1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)35-38(27)17-22(39)16-36-11-7-19(8-12-36)23-15-34-26-6-10-33-14-24(23)26/h2-6,10,14-15,19,22,34,39H,7-9,11-13,16-18H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221229
PNG
(3-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(triflu...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccc(cc12)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C31H33F3N6O3S/c1-44(42,43)39-13-10-29-27(19-39)30(22-3-5-23(6-4-22)31(32,33)34)37-40(29)18-24(41)17-38-11-8-21(9-12-38)26-16-36-28-7-2-20(15-35)14-25(26)28/h2-7,14,16,21,24,36,41H,8-13,17-19H2,1H3
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n/an/a 21n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221230
PNG
(1-(4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cnccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)35-38(27)17-22(39)16-36-11-7-19(8-12-36)24-14-34-26-15-33-10-6-23(24)26/h2-6,10,14-15,19,22,34,39H,7-9,11-13,16-18H2,1H3
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n/an/a 30n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221228
PNG
(1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)35-38(27)17-22(39)16-36-11-7-19(8-12-36)23-15-34-26-6-10-33-14-24(23)26/h2-6,10,14-15,19,22,34,39H,7-9,11-13,16-18H2,1H3
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n/an/a 58n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221216
PNG
(1-(4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cccnc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-24(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)23-15-34-25-3-2-11-33-28(23)25/h2-7,11,15,19,22,34,39H,8-10,12-14,16-18H2,1H3
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n/an/a 95n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221240
PNG
(1-(4-(5-chloro-1H-indol-3-yl)piperidin-1-yl)-3-(5-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccc(Cl)cc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C30H33ClF3N5O3S/c1-43(41,42)38-13-10-28-26(18-38)29(20-2-4-21(5-3-20)30(32,33)34)36-39(28)17-23(40)16-37-11-8-19(9-12-37)25-15-35-27-7-6-22(31)14-24(25)27/h2-7,14-15,19,23,35,40H,8-13,16-18H2,1H3
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n/an/a 44n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221238
PNG
(1-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)-3-(5...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
Show InChI InChI=1/C31H36F3N5O4S/c1-43-24-7-8-28-25(15-24)26(16-35-28)20-9-12-37(13-10-20)17-23(40)18-39-29-11-14-38(44(2,41)42)19-27(29)30(36-39)21-3-5-22(6-4-21)31(32,33)34/h3-8,15-16,20,23,35,40H,9-14,17-19H2,1-2H3
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n/an/a 29n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221221
PNG
(CHEMBL397622 | ethyl 3-(1-(2-hydroxy-3-(5-(methyls...)
Show SMILES CCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
Show InChI InChI=1/C33H38F3N5O5S/c1-3-46-32(43)23-6-9-29-26(16-23)27(17-37-29)21-10-13-39(14-11-21)18-25(42)19-41-30-12-15-40(47(2,44)45)20-28(30)31(38-41)22-4-7-24(8-5-22)33(34,35)36/h4-9,16-17,21,25,37,42H,3,10-15,18-20H2,1-2H3
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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 cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221219
PNG
(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-25(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)24-15-34-28-23(24)3-2-11-33-28/h2-7,11,15,19,22,39H,8-10,12-14,16-18H2,1H3,(H,33,34)
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n/an/a 860n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221230
PNG
(1-(4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cnccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O3S/c1-42(40,41)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)35-38(27)17-22(39)16-36-11-7-19(8-12-36)24-14-34-26-15-33-10-6-23(24)26/h2-6,10,14-15,19,22,34,39H,7-9,11-13,16-18H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221241
PNG
(1-(4-(6-chloro-1H-indol-3-yl)piperidin-1-yl)-3-(5-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cc(Cl)ccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C30H33ClF3N5O3S/c1-43(41,42)38-13-10-28-26(18-38)29(20-2-4-21(5-3-20)30(32,33)34)36-39(28)17-23(40)16-37-11-8-19(9-12-37)25-15-35-27-14-22(31)6-7-24(25)27/h2-7,14-15,19,23,35,40H,8-13,16-18H2,1H3
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n/an/a 29n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50182120
PNG
(1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-te...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCc2ccccc12)-c1ccc(Br)cc1
Show InChI InChI=1/C30H38BrN5O3S/c1-40(38,39)34-18-14-29-27(21-34)30(23-8-10-24(31)11-9-23)32-36(29)20-26(37)19-33-16-12-25(13-17-33)35-15-4-6-22-5-2-3-7-28(22)35/h2-3,5,7-11,25-26,37H,4,6,12-21H2,1H3
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n/an/a 322n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair