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BDBM13798 2-(3-{[2-(3-aminopiperidin-1-yl)-6-methyl-7-oxo-1H,6H,7H-imidazo[4,5-d]pyridazin-1-yl]methyl}phenyl)acetonitrile::Xanthine mimetic compound 13

SMILES: Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O

InChI Key: InChIKey=KZOGZNFAAFZJNU-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 13798   
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))
BDBM13798
PNG
(2-(3-{[2-(3-aminopiperidin-1-yl)-6-methyl-7-oxo-1H...)
Show SMILES Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O
Show InChI InChI=1S/C20H23N7O/c1-25-19(28)18-17(11-23-25)24-20(26-9-3-6-16(22)13-26)27(18)12-15-5-2-4-14(10-15)7-8-21/h2,4-5,10-11,16H,3,6-7,9,12-13,22H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
11 -10.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 16: 6226-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.024
BindingDB Entry DOI: 10.7270/Q2MP51H4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM13798
PNG
(2-(3-{[2-(3-aminopiperidin-1-yl)-6-methyl-7-oxo-1H...)
Show SMILES Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O
Show InChI InChI=1S/C20H23N7O/c1-25-19(28)18-17(11-23-25)24-20(26-9-3-6-16(22)13-26)27(18)12-15-5-2-4-14(10-15)7-8-21/h2,4-5,10-11,16H,3,6-7,9,12-13,22H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3>-7.45n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 16: 6226-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.024
BindingDB Entry DOI: 10.7270/Q2MP51H4
More data for this
Ligand-Target Pair