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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'gilberg' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Homo sapiens (Human))
BDBM50510762
PNG
(CHEMBL4442025)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C28H30N4O2/c1-20(2)18-26(28(34)32(4)31(3)19-29)30-27(33)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,20,26H,18H2,1-4H3,(H,30,33)
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0.690n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50247638
PNG
(CHEMBL4101883)
Show SMILES CC1NN(C)C(C)=C1c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |c:6|
Show InChI InChI=1S/C39H41Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-10-11-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-14-8-13-45(38(47)37(27)46)32-20-25(39(48)49)19-31-29(32)12-15-43(31)5/h10-12,15,17-20,23,42H,7-9,13-14,16H2,1-6H3,(H,48,49)
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<1n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of FITC-Bim binding to human His6-MPB tagged MCL1 expressed in Escherichia coli K-12 by TR-FRET assay


J Med Chem 61: 1276-1284 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01780
BindingDB Entry DOI: 10.7270/Q2B27XQN
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50505323
PNG
(CHEMBL4556848)
Show SMILES CCC[C@H]1CC[C@@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)C#N |r,wU:6.9,wD:3.2,(35.77,-15.92,;34.44,-15.15,;33.11,-15.91,;31.77,-15.14,;31.78,-13.6,;30.44,-12.82,;29.12,-13.59,;29.11,-15.13,;30.44,-15.9,;27.78,-12.82,;26.45,-13.59,;26.45,-15.13,;27.78,-15.89,;27.79,-17.43,;26.45,-18.21,;26.13,-19.72,;24.59,-19.88,;23.96,-18.47,;25.11,-17.43,;25.11,-15.9,;27.78,-11.28,;29.12,-10.51,;29.12,-8.96,;27.78,-8.2,;26.45,-8.97,;26.45,-10.51,;25.12,-8.2,;25.12,-6.65,;23.8,-5.88,;22.46,-6.64,;22.45,-8.18,;23.79,-8.96,;30.44,-8.18,;31.77,-7.41,)|
Show InChI InChI=1S/C25H32N6O3/c1-2-3-18-4-7-20(8-5-18)31(16-19-6-9-21-22(14-19)34-17-33-21)25-28-23(15-26)27-24(29-25)30-10-12-32-13-11-30/h6,9,14,18,20H,2-5,7-8,10-13,16-17H2,1H3/t18-,20-
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2n/an/an/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 62: 10497-10525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50510761
PNG
(CHEMBL4440655)
Show SMILES CC(C)CC(NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H21BrN4O2/c1-11(2)9-14(16(23)21(4)20(3)10-18)19-15(22)12-5-7-13(17)8-6-12/h5-8,11,14H,9H2,1-4H3,(H,19,22)
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2n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50510759
PNG
(CHEMBL4459206)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccncc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C21H25N5O2/c1-15(2)12-19(21(28)26(4)25(3)14-22)24-20(27)18-7-5-6-17(13-18)16-8-10-23-11-9-16/h5-11,13,15,19H,12H2,1-4H3,(H,24,27)
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5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50505321
PNG
(CHEMBL2402091)
Show SMILES N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccc2OCOc2c1)C1CCCCC1
Show InChI InChI=1S/C22H26N6O3/c23-13-20-24-21(27-8-10-29-11-9-27)26-22(25-20)28(17-4-2-1-3-5-17)14-16-6-7-18-19(12-16)31-15-30-18/h6-7,12,17H,1-5,8-11,14-15H2
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8n/an/an/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 62: 10497-10525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560495
PNG
(CHEMBL4797550)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560487
PNG
(CHEMBL4760449)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560502
PNG
(CHEMBL4743577)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560485
PNG
(CHEMBL4779451)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560489
PNG
(CHEMBL4799671)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50505321
PNG
(CHEMBL2402091)
Show SMILES N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccc2OCOc2c1)C1CCCCC1
Show InChI InChI=1S/C22H26N6O3/c23-13-20-24-21(27-8-10-29-11-9-27)26-22(25-20)28(17-4-2-1-3-5-17)14-16-6-7-18-19(12-16)31-15-30-18/h6-7,12,17H,1-5,8-11,14-15H2
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33n/an/an/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


J Med Chem 62: 10497-10525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560501
PNG
(CHEMBL4788237)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560494
PNG
(CHEMBL4748529)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560491
PNG
(CHEMBL4788083)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560489
PNG
(CHEMBL4799671)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560488
PNG
(CHEMBL4762158)
Show SMILES CC(C)C[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560494
PNG
(CHEMBL4748529)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560500
PNG
(CHEMBL4746892)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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67n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560500
PNG
(CHEMBL4746892)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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71n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560497
PNG
(CHEMBL4751561)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|
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74n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560484
PNG
(CHEMBL4792083)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560497
PNG
(CHEMBL4751561)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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80n/an/an/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Irreversible inhibition of human cathepsin L


J Med Chem 62: 10497-10525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560491
PNG
(CHEMBL4788083)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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83n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560495
PNG
(CHEMBL4797550)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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92n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560502
PNG
(CHEMBL4743577)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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96n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560487
PNG
(CHEMBL4760449)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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111n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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128n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560490
PNG
(CHEMBL4749952)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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134n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560490
PNG
(CHEMBL4749952)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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136n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560497
PNG
(CHEMBL4751561)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|
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147n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560483
PNG
(CHEMBL4783610)
Show SMILES Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560484
PNG
(CHEMBL4792083)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
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173n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560493
PNG
(CHEMBL4746651)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NC1(CC1)C#N |r|
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177n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560486
PNG
(CHEMBL4740136)
Show SMILES O=C(NC1(CC1)C#N)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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179n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560493
PNG
(CHEMBL4746651)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NC1(CC1)C#N |r|
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189n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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192n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560483
PNG
(CHEMBL4783610)
Show SMILES Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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199n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560488
PNG
(CHEMBL4762158)
Show SMILES CC(C)C[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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218n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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220n/an/an/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Irreversible inhibition of Trypanosoma cruzi cruzipain


J Med Chem 62: 10497-10525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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221n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560493
PNG
(CHEMBL4746651)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NC1(CC1)C#N |r|
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238n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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244n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
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