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BDBM11697 (2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}acetyl)pyrrolidine-2-carbonitrile::(2S)-Cyanopyrrolidine analogue 18a::2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-1-oxo-propyl]1,2,3,4-tetrahydroisoquinoline

SMILES: O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N

InChI Key: InChIKey=VZRWVTUGGOPGEC-KRWDZBQOSA-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 = 11697   
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))
BDBM11697
PNG
((2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-12-17-6-3-10-23(17)19(25)13-21-9-7-18(24)22-11-8-15-4-1-2-5-16(15)14-22/h1-2,4-5,17,21H,3,6-11,13-14H2/t17-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 116n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11697
PNG
((2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-12-17-6-3-10-23(17)19(25)13-21-9-7-18(24)22-11-8-15-4-1-2-5-16(15)14-22/h1-2,4-5,17,21H,3,6-11,13-14H2/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM11697
PNG
((2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-12-17-6-3-10-23(17)19(25)13-21-9-7-18(24)22-11-8-15-4-1-2-5-16(15)14-22/h1-2,4-5,17,21H,3,6-11,13-14H2/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair