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BDBM50169485 CHEMBL188929::[(S)-1-(Pyridin-2-ylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-[3-(4-trifluoromethyl-phenyl)-pyrazol-1-ylmethyl]-propyl ester

SMILES: CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1

InChI Key: InChIKey=FTMVKLBMILBPTA-XZOQPEGZSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50169485   
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))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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KEGG

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B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair