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23 similar compounds to monomer 50255570

Compile data set for download or QSAR
Wt: 479.5
BDBM50255849
Wt: 555.6
BDBM50255176
Wt: 541.6
BDBM50255133
Wt: 576.1
BDBM50255408
Wt: 493.6
BDBM50255895
Wt: 479.5
BDBM50255896
Wt: 555.6
BDBM50255354
Wt: 493.6
BDBM50255949
Wt: 533.5
BDBM50255951
Wt: 559.6
BDBM50255456
Wt: 559.6
BDBM50255457
Wt: 559.6
BDBM50255458
Wt: 555.6
BDBM50255498
Wt: 556.6
BDBM50255499
Wt: 571.6
BDBM50255500
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50255849,50255176,50255133,50255408,50255895,50255896,50255354,50255949,50255951,50255456,50255457,50255458,50255498,50255499,50255500   
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))
BDBM50255133
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/s2
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0.800n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255499
PNG
(4-(4-Amino-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1/C28H36N4O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17,29H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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1.30n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255949
PNG
(4-Ethanesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrahy...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1
Show InChI InChI=1/C24H35N3O6S/c1-4-20-21(19(28)15-33-20)26-23(30)18(14-24(3)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27-34(31,32)5-2/h8-11,18,20-21,27H,4-7,12-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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1.90n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255456
PNG
(CHEMBL474664 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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2n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255849
PNG
(CHEMBL471972 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)25-22(29)17(13-23(2)11-5-6-12-23)24-21(28)15-7-9-16(10-8-15)26-33(3,30)31/h7-10,17,19-20,26H,4-6,11-14H2,1-3H3,(H,24,28)(H,25,29)/t17-,19-,20+/s2
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2.60n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255500
PNG
(CHEMBL475269 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)15-5-6-16-29)30-27(34)19-7-9-20(10-8-19)32-40(36,37)22-13-11-21(38-3)12-14-22/h7-14,23,25-26,32H,4-6,15-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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3.30n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255457
PNG
(CHEMBL474865 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-4-5-14-28)30-26(34)18-9-11-20(12-10-18)32-39(36,37)21-8-6-7-19(29)15-21/h6-12,15,22,24-25,32H,3-5,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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3.40n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255458
PNG
(CHEMBL515588 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-23-25(22(33)17-38-23)31-27(35)21(16-28(2)14-6-7-15-28)30-26(34)18-10-12-19(13-11-18)32-39(36,37)24-9-5-4-8-20(24)29/h4-5,8-13,21,23,25,32H,3,6-7,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,23-,25+/s2
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3.80n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255498
PNG
(CHEMBL475063 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1/C29H37N3O6S/c1-4-24-26(23(33)18-38-24)31-28(35)22(17-29(3)15-7-8-16-29)30-27(34)20-11-13-21(14-12-20)32-39(36,37)25-10-6-5-9-19(25)2/h5-6,9-14,22,24,26,32H,4,7-8,15-18H2,1-3H3,(H,30,34)(H,31,35)/t22-,24-,26+/s2
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3.90n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255354
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1
Show InChI InChI=1/C29H37N3O6S/c1-4-25-26(24(33)18-38-25)31-28(35)23(17-29(3)14-8-9-15-29)30-27(34)20-12-13-22(19(2)16-20)32-39(36,37)21-10-6-5-7-11-21/h5-7,10-13,16,23,25-26,32H,4,8-9,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255951
PNG
(CHEMBL519633 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1/C23H30F3N3O6S/c1-3-18-19(17(30)13-35-18)28-21(32)16(12-22(2)10-4-5-11-22)27-20(31)14-6-8-15(9-7-14)29-36(33,34)23(24,25)26/h6-9,16,18-19,29H,3-5,10-13H2,1-2H3,(H,27,31)(H,28,32)/t16-,18-,19+/s2
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8.30n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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12n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255176
PNG
(CHEMBL475062 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1/C29H37N3O6S/c1-3-25-26(24(33)18-38-25)31-28(35)23(17-29(2)15-7-8-16-29)30-27(34)21-11-13-22(14-12-21)32-39(36,37)19-20-9-5-4-6-10-20/h4-6,9-14,23,25-26,32H,3,7-8,15-19H2,1-2H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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31n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255895
PNG
(CHEMBL482166 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)N(C)S(C)(=O)=O
Show InChI InChI=1/C24H35N3O6S/c1-5-20-21(19(28)15-33-20)26-23(30)18(14-24(2)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27(3)34(4,31)32/h8-11,18,20-21H,5-7,12-15H2,1-4H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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98n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255895
PNG
(CHEMBL482166 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)N(C)S(C)(=O)=O
Show InChI InChI=1/C24H35N3O6S/c1-5-20-21(19(28)15-33-20)26-23(30)18(14-24(2)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27(3)34(4,31)32/h8-11,18,20-21H,5-7,12-15H2,1-4H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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110n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50255896
PNG
(CHEMBL482167 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)S(=O)(=O)NC
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)26-22(29)17(13-23(2)11-5-6-12-23)25-21(28)15-7-9-16(10-8-15)33(30,31)24-3/h7-10,17,19-20,24H,4-6,11-14H2,1-3H3,(H,25,28)(H,26,29)/t17-,19-,20+/s2
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140n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


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


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255849
PNG
(CHEMBL471972 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)25-22(29)17(13-23(2)11-5-6-12-23)24-21(28)15-7-9-16(10-8-15)26-33(3,30)31/h7-10,17,19-20,26H,4-6,11-14H2,1-3H3,(H,24,28)(H,25,29)/t17-,19-,20+/s2
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290n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255456
PNG
(CHEMBL474664 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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370n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255896
PNG
(CHEMBL482167 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)S(=O)(=O)NC
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)26-22(29)17(13-23(2)11-5-6-12-23)25-21(28)15-7-9-16(10-8-15)33(30,31)24-3/h7-10,17,19-20,24H,4-6,11-14H2,1-3H3,(H,25,28)(H,26,29)/t17-,19-,20+/s2
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420n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255133
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/s2
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430n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255949
PNG
(4-Ethanesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrahy...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1
Show InChI InChI=1/C24H35N3O6S/c1-4-20-21(19(28)15-33-20)26-23(30)18(14-24(3)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27-34(31,32)5-2/h8-11,18,20-21,27H,4-7,12-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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470n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255500
PNG
(CHEMBL475269 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)15-5-6-16-29)30-27(34)19-7-9-20(10-8-19)32-40(36,37)22-13-11-21(38-3)12-14-22/h7-14,23,25-26,32H,4-6,15-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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500n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255457
PNG
(CHEMBL474865 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-4-5-14-28)30-26(34)18-9-11-20(12-10-18)32-39(36,37)21-8-6-7-19(29)15-21/h6-12,15,22,24-25,32H,3-5,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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520n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255498
PNG
(CHEMBL475063 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1/C29H37N3O6S/c1-4-24-26(23(33)18-38-24)31-28(35)22(17-29(3)15-7-8-16-29)30-27(34)20-11-13-21(14-12-20)32-39(36,37)25-10-6-5-9-19(25)2/h5-6,9-14,22,24,26,32H,4,7-8,15-18H2,1-3H3,(H,30,34)(H,31,35)/t22-,24-,26+/s2
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550n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255354
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1
Show InChI InChI=1/C29H37N3O6S/c1-4-25-26(24(33)18-38-25)31-28(35)23(17-29(3)14-8-9-15-29)30-27(34)20-12-13-22(19(2)16-20)32-39(36,37)21-10-6-5-7-11-21/h5-7,10-13,16,23,25-26,32H,4,8-9,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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730n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255499
PNG
(4-(4-Amino-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1/C28H36N4O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17,29H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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950n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255458
PNG
(CHEMBL515588 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-23-25(22(33)17-38-23)31-27(35)21(16-28(2)14-6-7-15-28)30-26(34)18-10-12-19(13-11-18)32-39(36,37)24-9-5-4-8-20(24)29/h4-5,8-13,21,23,25,32H,3,6-7,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,23-,25+/s2
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980n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255951
PNG
(CHEMBL519633 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1/C23H30F3N3O6S/c1-3-18-19(17(30)13-35-18)28-21(32)16(12-22(2)10-4-5-11-22)27-20(31)14-6-8-15(9-7-14)29-36(33,34)23(24,25)26/h6-9,16,18-19,29H,3-5,10-13H2,1-2H3,(H,27,31)(H,28,32)/t16-,18-,19+/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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1.60E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255176
PNG
(CHEMBL475062 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1/C29H37N3O6S/c1-3-25-26(24(33)18-38-25)31-28(35)23(17-29(2)15-7-8-16-29)30-27(34)21-11-13-22(14-12-21)32-39(36,37)19-20-9-5-4-6-10-20/h4-6,9-14,23,25-26,32H,3,7-8,15-19H2,1-2H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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1.70E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255354
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1
Show InChI InChI=1/C29H37N3O6S/c1-4-25-26(24(33)18-38-25)31-28(35)23(17-29(3)14-8-9-15-29)30-27(34)20-12-13-22(19(2)16-20)32-39(36,37)21-10-6-5-7-11-21/h5-7,10-13,16,23,25-26,32H,4,8-9,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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2.30E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255456
PNG
(CHEMBL474664 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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5.90E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255457
PNG
(CHEMBL474865 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-4-5-14-28)30-26(34)18-9-11-20(12-10-18)32-39(36,37)21-8-6-7-19(29)15-21/h6-12,15,22,24-25,32H,3-5,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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7.80E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255498
PNG
(CHEMBL475063 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1/C29H37N3O6S/c1-4-24-26(23(33)18-38-24)31-28(35)22(17-29(3)15-7-8-16-29)30-27(34)20-11-13-21(14-12-20)32-39(36,37)25-10-6-5-9-19(25)2/h5-6,9-14,22,24,26,32H,4,7-8,15-18H2,1-3H3,(H,30,34)(H,31,35)/t22-,24-,26+/s2
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8.40E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255499
PNG
(4-(4-Amino-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1/C28H36N4O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17,29H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/s2
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9.10E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255895
PNG
(CHEMBL482166 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)N(C)S(C)(=O)=O
Show InChI InChI=1/C24H35N3O6S/c1-5-20-21(19(28)15-33-20)26-23(30)18(14-24(2)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27(3)34(4,31)32/h8-11,18,20-21H,5-7,12-15H2,1-4H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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1.10E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255133
PNG
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/s2
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1.10E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255500
PNG
(CHEMBL475269 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)15-5-6-16-29)30-27(34)19-7-9-20(10-8-19)32-40(36,37)22-13-11-21(38-3)12-14-22/h7-14,23,25-26,32H,4-6,15-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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1.10E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255458
PNG
(CHEMBL515588 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1/C28H34FN3O6S/c1-3-23-25(22(33)17-38-23)31-27(35)21(16-28(2)14-6-7-15-28)30-26(34)18-10-12-19(13-11-18)32-39(36,37)24-9-5-4-8-20(24)29/h4-5,8-13,21,23,25,32H,3,6-7,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,23-,25+/s2
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1.10E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255849
PNG
(CHEMBL471972 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)25-22(29)17(13-23(2)11-5-6-12-23)24-21(28)15-7-9-16(10-8-15)26-33(3,30)31/h7-10,17,19-20,26H,4-6,11-14H2,1-3H3,(H,24,28)(H,25,29)/t17-,19-,20+/s2
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1.20E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255176
PNG
(CHEMBL475062 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1/C29H37N3O6S/c1-3-25-26(24(33)18-38-25)31-28(35)23(17-29(2)15-7-8-16-29)30-27(34)21-11-13-22(14-12-21)32-39(36,37)19-20-9-5-4-6-10-20/h4-6,9-14,23,25-26,32H,3,7-8,15-19H2,1-2H3,(H,30,34)(H,31,35)/t23-,25-,26+/s2
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1.50E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255951
PNG
(CHEMBL519633 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1/C23H30F3N3O6S/c1-3-18-19(17(30)13-35-18)28-21(32)16(12-22(2)10-4-5-11-22)27-20(31)14-6-8-15(9-7-14)29-36(33,34)23(24,25)26/h6-9,16,18-19,29H,3-5,10-13H2,1-2H3,(H,27,31)(H,28,32)/t16-,18-,19+/s2
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1.50E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255949
PNG
(4-Ethanesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrahy...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1
Show InChI InChI=1/C24H35N3O6S/c1-4-20-21(19(28)15-33-20)26-23(30)18(14-24(3)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27-34(31,32)5-2/h8-11,18,20-21,27H,4-7,12-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,20-,21+/s2
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1.70E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255896
PNG
(CHEMBL482167 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)S(=O)(=O)NC
Show InChI InChI=1/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)26-22(29)17(13-23(2)11-5-6-12-23)25-21(28)15-7-9-16(10-8-15)33(30,31)24-3/h7-10,17,19-20,24H,4-6,11-14H2,1-3H3,(H,25,28)(H,26,29)/t17-,19-,20+/s2
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2.70E+4n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair