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BDBM12175 2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole::pyrrolidine-2,4-dicarboxylic acid amide 8k

SMILES: F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1

InChI Key: InChIKey=HLOXULRREFVHRH-JYJNAYRXSA-N

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 = 12175   
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 (DPP4)


(Homo sapiens (human))
BDBM12175
PNG
(2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 245n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Fibroblast Activation Protein (FAP)


(Homo sapiens (Human))
BDBM12175
PNG
(2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12175
PNG
(2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM12175
PNG
(2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair