BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2609 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (S and K)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (S and K)


(Homo sapiens (Human))
BDBM50243232
PNG
(CHEMBL486232 | GNF-PF-5434 | N-((S)-4-methyl-1-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
<0.100n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50030745
PNG
(CHEMBL3342185)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335289
PNG
(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335281
PNG
(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335283
PNG
(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335282
PNG
(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50030746
PNG
(CHEMBL3342184)
Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.176n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335284
PNG
(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335278
PNG
(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335280
PNG
(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50410979
PNG
(CHEMBL207347)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H29N3O6/c1-4-9-19(21(29)24-28-27-23(34-24)20-12-8-13-32-20)26-22(30)18(14-16(2)3)25(31)33-15-17-10-6-5-7-11-17/h5-8,10-13,16,18-19H,4,9,14-15H2,1-3H3,(H,26,30)/t18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
<0.25n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50084650
PNG
(CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...)
Show SMILES Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1
Show InChI InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin S


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109847
PNG
(US8609681, 70)
Show SMILES FC(F)(C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1
Show InChI InChI=1S/C23H28F2N4O2/c24-23(25,14-17-4-2-1-3-5-17)15-18(19(30)28-22(16-26)8-9-22)27-20(31)29-12-10-21(6-7-21)11-13-29/h1-5,18H,6-15H2,(H,27,31)(H,28,30)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
0.300n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335285
PNG
(CHEMBL1651350 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H25N7O3S/c1-14(2)12-17(21(30)29(4)28(3)13-23)25-22(31)24-16-9-7-15(8-10-16)19-26-20(32-27-19)18-6-5-11-33-18/h5-11,14,17H,12H2,1-4H3,(H2,24,25,31)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50304794
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM103367
PNG
(US8552202, Example 4)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4/c1-15-5-7-16(8-6-15)21(25(33)30-12-19(26)23-22(30)20(31)13-34-23)28-24(32)17-3-2-4-18(11-17)29-10-9-27-14-29/h2-4,9-11,14-16,19,21-23H,5-8,12-13H2,1H3,(H,28,32)/t15-,16-,19-,21-,22+,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
0.400n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109859
PNG
(US8609681, 102)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C19H28F2N4O2/c1-2-3-19(20,21)12-14(15(26)24-18(13-22)6-7-18)23-16(27)25-10-8-17(4-5-17)9-11-25/h14H,2-12H2,1H3,(H,23,27)(H,24,26)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
0.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.510n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.550n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50002399
PNG
(CHEMBL197958)
Show SMILES CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C=O
Show InChI InChI=1S/C27H29N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-11-19-9-4-6-12-23(19)25)27(32)29-22(17-31)16-21-15-20-10-5-7-13-24(20)28-21/h4-15,17-18,22,26,28,30H,3,16H2,1-2H3,(H,29,32)/t18?,22-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.560n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin S


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255571
PNG
(4-(3-Cyano-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)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)13-4-5-14-29)31-27(35)20-9-11-21(12-10-20)33-40(37,38)22-8-6-7-19(15-22)17-30/h6-12,15,23,25-26,33H,3-5,13-14,16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.600n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255790
PNG
(4-(2,4-Dimethyl-thiazole-5-sulfonylamino)-N-[1-(2S...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1
Show InChI InChI=1S/C27H36N4O6S2/c1-5-22-23(21(32)15-37-22)30-25(34)20(14-27(4)12-6-7-13-27)29-24(33)18-8-10-19(11-9-18)31-39(35,36)26-16(2)28-17(3)38-26/h8-11,20,22-23,31H,5-7,12-15H2,1-4H3,(H,29,33)(H,30,34)/t20-,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
0.700n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50030747
PNG
(CHEMBL3342183)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.777n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255627
PNG
(4-(2-Cyano-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)c2ccccc2C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-24-26(23(34)18-39-24)32-28(36)22(16-29(2)14-6-7-15-29)31-27(35)19-10-12-21(13-11-19)33-40(37,38)25-9-5-4-8-20(25)17-30/h4-5,8-13,22,24,26,33H,3,6-7,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t22-,24-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and 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=1S/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+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335277
PNG
(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.830n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.860n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255681
PNG
(CHEMBL473448 | 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)c2cnccc2C)cc1
Show InChI InChI=1S/C28H36N4O6S/c1-4-23-25(22(33)17-38-23)31-27(35)21(15-28(3)12-5-6-13-28)30-26(34)19-7-9-20(10-8-19)32-39(36,37)24-16-29-14-11-18(24)2/h7-11,14,16,21,23,25,32H,4-6,12-13,15,17H2,1-3H3,(H,30,34)(H,31,35)/t21-,23-,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.900n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM19622
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1
Show InChI InChI=1S/C26H33ClN4O3/c1-17(16-28-19-11-13-20(33-2)14-12-19)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)34-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1 -53.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255569
PNG
(CHEMBL475669 | 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(OC)c2)cc1
Show InChI InChI=1S/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)14-5-6-15-29)30-27(34)19-10-12-20(13-11-19)32-40(36,37)22-9-7-8-21(16-22)38-3/h7-13,16,23,25-26,32H,4-6,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109858
PNG
(US8609681, 97)
Show SMILES FC(F)(C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1
Show InChI InChI=1S/C28H37F2N5O2/c29-28(30,18-21-4-2-1-3-5-21)19-23(24(36)33-27(20-31)8-9-27)32-25(37)35-16-12-26(13-17-35)10-14-34(15-11-26)22-6-7-22/h1-5,22-23H,6-19H2,(H,32,37)(H,33,36)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
1n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255570
PNG
(4-(4-Cyano-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(cc2)C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)14-4-5-15-29)31-27(35)20-8-10-21(11-9-20)33-40(37,38)22-12-6-19(17-30)7-13-22/h6-13,23,25-26,33H,3-5,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.10n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and 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=1S/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+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50335276
PNG
(CHEMBL1651242 | N-(Benzyloxycarbonyl)-valyl-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-12(2)14(15(21)20(4)19(3)11-17)18-16(22)23-10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,18,22)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.60 -49.7n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM103364
PNG
(US8552202, Compound 13)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C24H27ClN4O4/c25-18-12-29(21-19(30)13-33-22(18)21)24(32)20(15-5-2-1-3-6-15)27-23(31)16-7-4-8-17(11-16)28-10-9-26-14-28/h4,7-11,14-15,18,20-22H,1-3,5-6,12-13H2,(H,27,31)/t18-,20-,21+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
1.70n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50032805
PNG
(CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...)
Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H41N5O6S/c46-38(36(19-15-29-8-2-1-3-9-29)41-20-25-52(49,50)35-18-17-32-11-5-7-13-34(32)28-35)42-37(27-30-14-16-31-10-4-6-12-33(31)26-30)39(47)43-40(48)44-45-21-23-51-24-22-45/h1-14,16-18,20,26,28,36-37H,15,19,21-25,27H2,(H,42,46)(H2,43,44,47,48)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.80n/an/an/an/an/an/an/an/a



Khepri Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound is evaluated for inhibitory potency against cathepsin S


J Med Chem 38: 3193-6 (1995)

More data for this
Ligand-Target Pair
Cathepsin (S and 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=1S/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+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109857
PNG
(US8609681, 94)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H37F2N5O2/c1-2-5-24(25,26)16-19(20(32)29-23(17-27)6-7-23)28-21(33)31-14-10-22(11-15-31)8-12-30(13-9-22)18-3-4-18/h18-19H,2-16H2,1H3,(H,28,33)(H,29,32)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109839
PNG
(US8609681, 36)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C19H28F2N4O2/c1-17(20,21)12-14(15(26)24-19(13-22)6-7-19)23-16(27)25-10-8-18(9-11-25)4-2-3-5-18/h14H,2-12H2,1H3,(H,23,27)(H,24,26)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and 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=1S/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+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM109856
PNG
(US8609681, 91)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(C2)c2ccc(OC)cc2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C27H37F2N5O3/c1-3-8-27(28,29)17-22(23(35)32-26(18-30)9-10-26)31-24(36)33-14-11-25(12-15-33)13-16-34(19-25)20-4-6-21(37-2)7-5-20/h4-7,22H,3,8-17,19H2,1-2H3,(H,31,36)(H,32,35)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
2n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM19577
PNG
((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1
Show InChI InChI=1S/C31H40N6O3/c1-21-19-22(2)35-31(34-21)36-26-11-9-24(10-12-26)29(38)37-28(20-23-7-5-4-6-8-23)30(39)33-18-17-32-25-13-15-27(40-3)16-14-25/h9-16,19,23,28,32H,4-8,17-18,20H2,1-3H3,(H,33,39)(H,37,38)(H,34,35,36)/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2 -51.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255629
PNG
(CHEMBL480638 | 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)c2cccnc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-3-23-24(22(32)17-37-23)30-26(34)21(15-27(2)12-4-5-13-27)29-25(33)18-8-10-19(11-9-18)31-38(35,36)20-7-6-14-28-16-20/h6-11,14,16,21,23-24,31H,3-5,12-13,15,17H2,1-2H3,(H,29,33)(H,30,34)/t21-,23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.10n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM103361
PNG
(US8552202, Example 2)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H27ClN6O4/c1-13-5-7-14(8-6-13)19(23(33)29-10-17(24)21-20(29)18(31)11-34-21)26-22(32)15-3-2-4-16(9-15)30-12-25-27-28-30/h2-4,9,12-14,17,19-21H,5-8,10-11H2,1H3,(H,26,32)/t13-,14-,17-,19-,20+,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.20n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255731
PNG
(CHEMBL482218 | 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)c2cccs2)cc1
Show InChI InChI=1S/C26H33N3O6S2/c1-3-21-23(20(30)16-35-21)28-25(32)19(15-26(2)12-4-5-13-26)27-24(31)17-8-10-18(11-9-17)29-37(33,34)22-7-6-14-36-22/h6-11,14,19,21,23,29H,3-5,12-13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t19-,21-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255680
PNG
(CHEMBL480836 | 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)c2ccccn2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-3-22-24(21(32)17-37-22)30-26(34)20(16-27(2)13-5-6-14-27)29-25(33)18-9-11-19(12-10-18)31-38(35,36)23-8-4-7-15-28-23/h4,7-12,15,20,22,24,31H,3,5-6,13-14,16-17H2,1-2H3,(H,29,33)(H,30,34)/t20-,22-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255130
PNG
(4-Cyclopropanesulfonylamino-N-[1-(2S-ethyl-4-oxo-t...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C25H35N3O6S/c1-3-21-22(20(29)15-34-21)27-24(31)19(14-25(2)12-4-5-13-25)26-23(30)16-6-8-17(9-7-16)28-35(32,33)18-10-11-18/h6-9,18-19,21-22,28H,3-5,10-15H2,1-2H3,(H,26,30)(H,27,31)/t19-,21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.40n/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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and 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=1S/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+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50255628
PNG
(CHEMBL481424 | 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)c2ccncc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-3-23-24(22(32)17-37-23)30-26(34)21(16-27(2)12-4-5-13-27)29-25(33)18-6-8-19(9-7-18)31-38(35,36)20-10-14-28-15-11-20/h6-11,14-15,21,23-24,31H,3-5,12-13,16-17H2,1-2H3,(H,29,33)(H,30,34)/t21-,23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2609 total )  |  Next  |  Last  >>
Jump to: