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BDBM50129072 CHEMBL64245::[1-((3S,4R)-2-Oxo-4-phenoxy-azetidin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester

SMILES: O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1

InChI Key: InChIKey=AOOLAAKZAJVJMI-TZIWHRDSSA-N

Data: 4 KI

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 4 hits for monomerid = 50129072   
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))
BDBM50129072
PNG
(CHEMBL64245 | [1-((3S,4R)-2-Oxo-4-phenoxy-azetidin...)
Show SMILES O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C24H27N3O5/c28-20-19(21(26-20)32-18-12-6-2-7-13-18)25-22(29)24(14-8-3-9-15-24)27-23(30)31-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,21-/m1/s1
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PC cid
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Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against Cathepsin K


Bioorg Med Chem Lett 13: 2051-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00304-4
BindingDB Entry DOI: 10.7270/Q2BG2NDJ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50129072
PNG
(CHEMBL64245 | [1-((3S,4R)-2-Oxo-4-phenoxy-azetidin...)
Show SMILES O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C24H27N3O5/c28-20-19(21(26-20)32-18-12-6-2-7-13-18)25-22(29)24(14-8-3-9-15-24)27-23(30)31-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,21-/m1/s1
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PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against Cathepsin L


Bioorg Med Chem Lett 13: 2051-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00304-4
BindingDB Entry DOI: 10.7270/Q2BG2NDJ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50129072
PNG
(CHEMBL64245 | [1-((3S,4R)-2-Oxo-4-phenoxy-azetidin...)
Show SMILES O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C24H27N3O5/c28-20-19(21(26-20)32-18-12-6-2-7-13-18)25-22(29)24(14-8-3-9-15-24)27-23(30)31-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,21-/m1/s1
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PubMed
5.30E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against Cathepsin S


Bioorg Med Chem Lett 13: 2051-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00304-4
BindingDB Entry DOI: 10.7270/Q2BG2NDJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50129072
PNG
(CHEMBL64245 | [1-((3S,4R)-2-Oxo-4-phenoxy-azetidin...)
Show SMILES O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C24H27N3O5/c28-20-19(21(26-20)32-18-12-6-2-7-13-18)25-22(29)24(14-8-3-9-15-24)27-23(30)31-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,21-/m1/s1
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PubMed
>1.50E+5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against Cathepsin B


Bioorg Med Chem Lett 13: 2051-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00304-4
BindingDB Entry DOI: 10.7270/Q2BG2NDJ
More data for this
Ligand-Target Pair