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BDBM50431228 CHEMBL2333023

SMILES: OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1

InChI Key: InChIKey=VEFSZHQQQXLTPA-JTQLQIEISA-N

Data: 5 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 5 hits for monomerid = 50431228   
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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
PDB
MMDB

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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
PDB

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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair