BindingDB logo
myBDB logout

BDBM50243453 (2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan-1-one::CHEMBL459438

SMILES: C[C@@H](O)[C@H](N)C(=O)N1CCCC1

InChI Key: InChIKey=PVIKRKVTPIEUAJ-RQJHMYQMSA-N

Data: 1 KI  4 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 = 50243453   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
4.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)


Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.42E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair