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BDBM11714 (2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile::(2S)-Cyanopyrrolidine analogue 20a::2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-1-oxo-butyl]-1,2,3,4-tetrahydroisoquinoline

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

InChI Key: InChIKey=NZIWMJXVLALVCM-YJBOKZPZSA-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 = 11714   
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))
BDBM11714
PNG
((2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoqui...)
Show SMILES C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H26N4O2/c1-15(22-13-20(26)24-9-4-7-18(24)12-21)11-19(25)23-10-8-16-5-2-3-6-17(16)14-23/h2-3,5-6,15,18,22H,4,7-11,13-14H2,1H3/t15-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 54n/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 2 (DPP II)


(Homo sapiens (Human))
BDBM11714
PNG
((2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoqui...)
Show SMILES C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H26N4O2/c1-15(22-13-20(26)24-9-4-7-18(24)12-21)11-19(25)23-10-8-16-5-2-3-6-17(16)14-23/h2-3,5-6,15,18,22H,4,7-11,13-14H2,1H3/t15-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.89E+4n/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))
BDBM11714
PNG
((2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoqui...)
Show SMILES C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H26N4O2/c1-15(22-13-20(26)24-9-4-7-18(24)12-21)11-19(25)23-10-8-16-5-2-3-6-17(16)14-23/h2-3,5-6,15,18,22H,4,7-11,13-14H2,1H3/t15-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.35E+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