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BDBM50332236 (R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione hydrochloride::CHEMBL1288231

SMILES: Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O

InChI Key: InChIKey=AJXPXEUUDNOLBU-HXUWFJFHSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50332236   
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))
BDBM50332236
PNG
((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...)
Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r|
Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/s1
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PC cid
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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 20: 7246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.101
BindingDB Entry DOI: 10.7270/Q2BK1CMK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50332236
PNG
((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...)
Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r|
Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 20: 7246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.101
BindingDB Entry DOI: 10.7270/Q2BK1CMK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50332236
PNG
((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...)
Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r|
Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/s1
PDB

KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 20: 7246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.101
BindingDB Entry DOI: 10.7270/Q2BK1CMK
More data for this
Ligand-Target Pair