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BDBM50350186 CHEMBL1814760

SMILES: O=C([C@@H]1C[C@@H](CN1)NCc1ccnc2ccccc12)N1Cc2ccccc2C1

InChI Key: InChIKey=OWMROPBXPMQSFY-UGKGYDQZSA-N

Data: 3 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 3 hits for monomerid = 50350186   
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))
BDBM50350186
PNG
(CHEMBL1814760)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCc1ccnc2ccccc12)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H24N4O/c28-23(27-14-17-5-1-2-6-18(17)15-27)22-11-19(13-26-22)25-12-16-9-10-24-21-8-4-3-7-20(16)21/h1-10,19,22,25-26H,11-15H2/t19-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/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))
BDBM50350186
PNG
(CHEMBL1814760)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCc1ccnc2ccccc12)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H24N4O/c28-23(27-14-17-5-1-2-6-18(17)15-27)22-11-19(13-26-22)25-12-16-9-10-24-21-8-4-3-7-20(16)21/h1-10,19,22,25-26H,11-15H2/t19-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+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))
BDBM50350186
PNG
(CHEMBL1814760)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCc1ccnc2ccccc12)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H24N4O/c28-23(27-14-17-5-1-2-6-18(17)15-27)22-11-19(13-26-22)25-12-16-9-10-24-21-8-4-3-7-20(16)21/h1-10,19,22,25-26H,11-15H2/t19-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.77E+4n/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