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BDBM50399729 CHEMBL2178968

SMILES: O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1

InChI Key: InChIKey=YDHVNENQKDYTSG-UGKGYDQZSA-N

Data: 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 4 hits for monomerid = 50399729   
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))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
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Article
PubMed
n/an/a 357n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair