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2 similar compounds to monomer 15510

Compile data set for download or QSAR
Wt: 392.3
BDBM15512
Wt: 406.3
BDBM50004103

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15512,50004103   
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))
BDBM15512
PNG
((4S,5S)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...)
Show SMILES N[C@@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@H]1c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N2O3/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2/t13-,17+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
105 -9.42n/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...


J Med Chem 50: 1983-7 (2007)


Article DOI: 10.1021/jm061436d
BindingDB Entry DOI: 10.7270/Q2VQ30XV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (human))
BDBM50004103
PNG
(CHEMBL3236126)
Show SMILES NC[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N2O3/c22-16-8-18(24)17(23)6-15(16)14-7-21(27)26(10-13(14)9-25)4-3-12-1-2-19-20(5-12)29-11-28-19/h1-2,5-6,8,13-14H,3-4,7,9-11,25H2/t13-,14-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 24: 1918-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F
More data for this
Ligand-Target Pair