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BDBM15510 (4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2,4,5-trifluorophenyl)-piperidin-2-one::(4R,5R)-5-amino-1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one::4, 5-trans -5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2, 4, 5-trifluorophenyl)piperidin-2-one::Piperidinone-Constrained Phenethylamine 25::Piperidinone-Constrained Phenethylamine 31::Racemic mixture

SMILES: N[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F

InChI Key: InChIKey=DIRIFWIKLRTNMB-HTCGWVBYNA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 15510   
Target
(Institution)
LigandTarget
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 (DPP4)


(Homo sapiens (human))
BDBM15510
PNG
((4R,5R)-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 |r|
Show InChI InChI=1/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+/s2
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Article
PubMed
3.20 -11.5n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM15510
PNG
((4R,5R)-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 |r|
Show InChI InChI=1/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+/s2
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Article
PubMed
7.10 -11.0n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM15510
PNG
((4R,5R)-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 |r|
Show InChI InChI=1/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+/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM15510
PNG
((4R,5R)-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 |r|
Show InChI InChI=1/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+/s2
SMPDB pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
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...


Citation and Details
More data for this
Ligand-Target Pair