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BDBM11155 (2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylcarbamoyl)-1-oxo-3-(4-{pyrazolo[1,5-a]pyrimidin-5-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate::(2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-4-(dimethylamino)-1,4-dioxo-3-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)butan-2-aminium trifluoroacetate::Biarylphenylalanine Difluoropyrrolidide 33

SMILES: CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1

InChI Key: InChIKey=VPRTVDHHTJBITP-OALUTQOASA-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 = 11155   
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))
BDBM11155
PNG
((2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethy...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
Show InChI InChI=1S/C22H24F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-12-9-22(23,24)13-29)15-5-3-14(4-6-15)16-8-11-30-17(27-16)7-10-26-30/h3-8,10-11,18-19H,9,12-13,25H2,1-2H3/p+1/t18-,19-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 7.5n/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))
BDBM11155
PNG
((2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethy...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
Show InChI InChI=1S/C22H24F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-12-9-22(23,24)13-29)15-5-3-14(4-6-15)16-8-11-30-17(27-16)7-10-26-30/h3-8,10-11,18-19H,9,12-13,25H2,1-2H3/p+1/t18-,19-/m0/s1
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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))
BDBM11155
PNG
((2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethy...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
Show InChI InChI=1S/C22H24F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-12-9-22(23,24)13-29)15-5-3-14(4-6-15)16-8-11-30-17(27-16)7-10-26-30/h3-8,10-11,18-19H,9,12-13,25H2,1-2H3/p+1/t18-,19-/m0/s1
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antibodypedia
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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))
BDBM11155
PNG
((2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethy...)
Show SMILES CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
Show InChI InChI=1S/C22H24F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-12-9-22(23,24)13-29)15-5-3-14(4-6-15)16-8-11-30-17(27-16)7-10-26-30/h3-8,10-11,18-19H,9,12-13,25H2,1-2H3/p+1/t18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/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