BindingDB logo
myBDB logout

BDBM11141 (1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate::(2S,3S)-4-(dimethylamino)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1,4-dioxobutan-2-aminium trifluoroacetate::Biarylphenylalanine (S)-Fluoropyrrolidide Amide 20

SMILES: CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1

InChI Key: InChIKey=XRPGUKSZMUVVAT-IHPCNDPISA-O

Data: 4 IC50

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 = 11141   
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))
BDBM11141
PNG
((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-25(2)21(29)19(20(24)22(30)27-11-10-17(23)13-27)15-6-4-14(5-7-15)16-8-9-18(28)26(3)12-16/h4-9,12,17,19-20H,10-11,13,24H2,1-3H3/p+1/t17-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


J Med Chem 49: 3614-27 (2006)


Article DOI: 10.1021/jm060015t
BindingDB Entry DOI: 10.7270/Q2N87807
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11141
PNG
((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-25(2)21(29)19(20(24)22(30)27-11-10-17(23)13-27)15-6-4-14(5-7-15)16-8-9-18(28)26(3)12-16/h4-9,12,17,19-20H,10-11,13,24H2,1-3H3/p+1/t17-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


J Med Chem 49: 3614-27 (2006)


Article DOI: 10.1021/jm060015t
BindingDB Entry DOI: 10.7270/Q2N87807
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM11141
PNG
((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-25(2)21(29)19(20(24)22(30)27-11-10-17(23)13-27)15-6-4-14(5-7-15)16-8-9-18(28)26(3)12-16/h4-9,12,17,19-20H,10-11,13,24H2,1-3H3/p+1/t17-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


J Med Chem 49: 3614-27 (2006)


Article DOI: 10.1021/jm060015t
BindingDB Entry DOI: 10.7270/Q2N87807
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11141
PNG
((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-25(2)21(29)19(20(24)22(30)27-11-10-17(23)13-27)15-6-4-14(5-7-15)16-8-9-18(28)26(3)12-16/h4-9,12,17,19-20H,10-11,13,24H2,1-3H3/p+1/t17-,19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


J Med Chem 49: 3614-27 (2006)


Article DOI: 10.1021/jm060015t
BindingDB Entry DOI: 10.7270/Q2N87807
More data for this
Ligand-Target Pair