BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1

InChI Key: InChIKey=VDIQELAZMIFVDS-KUHUBIRLSA-O

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 3 hits for monomerid = 12653   
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))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6 -11.1n/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))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
500 -8.50n/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))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
230 -8.96n/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