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BDBM11661 (2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one::alpha-amino acid pyrrolidide 23::oxadiazole based amide

SMILES: C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F

InChI Key: InChIKey=AQAKUVAZSBURGF-ZANVPECISA-N

Data: 4 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 4 hits for monomerid = 11661   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11661
PNG
((2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H18F2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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Article
PubMed
n/an/a 4.59E+3n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11661
PNG
((2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H18F2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM11661
PNG
((2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H18F2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
PDB

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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

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



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11661
PNG
((2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H18F2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
PDB
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Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair