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BDBM12170 5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole::pyrrolidine-2,4-dicarboxylic acid amide 8f

SMILES: Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1

InChI Key: InChIKey=XDUYJOAVSBIXIG-ZBEGNZNMSA-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 = 12170   
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))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 144n/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))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.13E+3n/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))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,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))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.22E+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