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BDBM50169483 (R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate::CHEMBL188438::[(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-1-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-2,2-dimethyl-propyl ester

SMILES: CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=YTRZAWRAPFBEQT-VEXUSMLFSA-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 = 50169483   
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 (B and K)


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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PubMed
n/an/a 9.80E+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 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 S


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 530n/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 K


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 0.372n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Eur J Med Chem 45: 667-81 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.010
BindingDB Entry DOI: 10.7270/Q29C6ZP1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 370n/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 V


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 3.40E+4n/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))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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PubMed
n/an/a 3.30E+4n/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