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BDBM50326384 (2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile::CHEMBL1243028

SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=HAUFVTOXNBPOCA-SNRMKQJTSA-N

Data: 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 5 hits for monomerid = 50326384   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326384
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
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MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50326384
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326384
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
PDB
MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326384
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
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PC sid
UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50326384
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair