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SMILES: NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1

InChI Key: InChIKey=XXQAXMIQRFUFDQ-ACJLOTCBSA-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 = 12655   
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))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
4.70 -11.2n/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))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80E+3 -6.82n/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))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+4 -6.55n/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