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BDBM11710 (2S)-Cyanopyrrolidine analogue 18n::3-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-N-(2-phenylpropan-2-yl)propanamide::3-[2-(2-Cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-methyl-1-phenylethyl)propionamide::CHEMBL201158

SMILES: CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1

InChI Key: InChIKey=XUDJEDOIMGXNTK-INIZCTEOSA-N

Data: 7 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 = 11710   
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))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a 119n/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...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 8.34E+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...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/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...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a 119n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-4


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-II


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.34E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-8


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of FAP, seprase


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair