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BDBM50350174 CHEMBL1814745

SMILES: N[C@@H](CC(=O)N1CCCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1

InChI Key: InChIKey=XXKUGHXANQDZRQ-MHZLTWQESA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50350174   
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 VIII


(Homo sapiens (Human))
BDBM50350174
PNG
(CHEMBL1814745)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c31-25-10-6-21(7-11-25)29(22-8-12-26(32)13-9-22)35-15-3-14-34(16-17-35)28(37)18-27(33)30(38)36-19-23-4-1-2-5-24(23)20-36/h1-2,4-13,27,29H,3,14-20,33H2/t27-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to sub...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50350174
PNG
(CHEMBL1814745)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c31-25-10-6-21(7-11-25)29(22-8-12-26(32)13-9-22)35-15-3-14-34(16-17-35)28(37)18-27(33)30(38)36-19-23-4-1-2-5-24(23)20-36/h1-2,4-13,27,29H,3,14-20,33H2/t27-/m0/s1
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MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Antwerp (UA)

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 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50350174
PNG
(CHEMBL1814745)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c31-25-10-6-21(7-11-25)29(22-8-12-26(32)13-9-22)35-15-3-14-34(16-17-35)28(37)18-27(33)30(38)36-19-23-4-1-2-5-24(23)20-36/h1-2,4-13,27,29H,3,14-20,33H2/t27-/m0/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>1.00E+5n/an/an/an/an/an/a



University of Antwerp (UA)

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 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair