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2 similar compounds to monomer 50335285

Wt: 481.5
BDBM50335283
Wt: 438.5
BDBM50335286

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50335283,50335286   
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 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
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Article
PubMed
0.0720n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin S


(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
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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


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(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
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PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

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


(Homo sapiens)
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
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PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50335286
PNG
(CHEMBL1651358 | 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)NCC#N
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
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PubMed
34n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50335286
PNG
(CHEMBL1651358 | 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)NCC#N
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
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PubMed
180n/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


J Med Chem 54: 396-400 (2011)

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


(Homo sapiens)
BDBM50335286
PNG
(CHEMBL1651358 | 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)NCC#N
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50335286
PNG
(CHEMBL1651358 | 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)NCC#N
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

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


(Homo sapiens)
BDBM50335286
PNG
(CHEMBL1651358 | 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)NCC#N
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
PDB
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PubMed
>2.20E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair