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BDBM11056 (2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2-carbonitrile::2-cyanopyrrolidine 10a::CHEMBL381626

SMILES: O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N

InChI Key: InChIKey=SBKBWYVWRSDAJC-IUCAKERBSA-N

Data: 2 KI  5 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 7 hits for monomerid = 11056   
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))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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Article
PubMed
20 -10.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 3520-35 (2006)


Article DOI: 10.1021/jm051283e
BindingDB Entry DOI: 10.7270/Q2WS8RG1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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Article
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)


Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 15: 2631-50 (2007)


Article DOI: 10.1016/j.bmc.2007.01.041
BindingDB Entry DOI: 10.7270/Q2CV4HDR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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PC sid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 15: 2715-35 (2007)


Article DOI: 10.1016/j.bmc.2007.01.033
BindingDB Entry DOI: 10.7270/Q2NC60W7
More data for this
Ligand-Target Pair