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BDBM11715 (2S)-1-(2-{[(3R)-4-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)pentan-3-yl]amino}acetyl)pyrrolidine-2-carbonitrile::(2S)-Cyanopyrrolidine analogue 20b::2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-4-methyl-1-oxopentyl]-1,2,3,4-tetrahydroisoquinoline

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

InChI Key: InChIKey=PHBONXMJMNUOML-VQTJNVASSA-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 = 11715   
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))
BDBM11715
PNG
((2S)-1-(2-{[(3R)-4-methyl-1-oxo-1-(1,2,3,4-tetrahy...)
Show SMILES CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H30N4O2/c1-16(2)20(24-14-22(28)26-10-5-8-19(26)13-23)12-21(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,16,19-20,24H,5,8-12,14-15H2,1-2H3/t19-,20+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 811n/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))
BDBM11715
PNG
((2S)-1-(2-{[(3R)-4-methyl-1-oxo-1-(1,2,3,4-tetrahy...)
Show SMILES CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H30N4O2/c1-16(2)20(24-14-22(28)26-10-5-8-19(26)13-23)12-21(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,16,19-20,24H,5,8-12,14-15H2,1-2H3/t19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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))
BDBM11715
PNG
((2S)-1-(2-{[(3R)-4-methyl-1-oxo-1-(1,2,3,4-tetrahy...)
Show SMILES CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H30N4O2/c1-16(2)20(24-14-22(28)26-10-5-8-19(26)13-23)12-21(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,16,19-20,24H,5,8-12,14-15H2,1-2H3/t19-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.19E+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