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BDBM50165428 CHEMBL196240::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (S)-indan-1-yl ester

SMILES: CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=DQSSVNLGIWUXRQ-WTNAPCKOSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50165428   
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
Pro-cathepsin H


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair