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SMILES: [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F

InChI Key: InChIKey=PPEROMZIWASUGT-VGSWGCGISA-O

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12652   
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))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
12 -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...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
73 -9.63n/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 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
310 -8.78n/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 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair