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BDBM50326381 2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile::CHEMBL1242993

SMILES: O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1

InChI Key: InChIKey=QTZMSDAPQLNSRC-KKUMJFAQSA-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 = 50326381   
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))
BDBM50326381
PNG
(2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyri...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
Show InChI InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
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PubMed
n/an/a 250n/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))
BDBM50326381
PNG
(2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyri...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
Show InChI InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
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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 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))
BDBM50326381
PNG
(2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyri...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
Show InChI InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
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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 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))
BDBM50326381
PNG
(2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyri...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
Show InChI InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
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PC sid
UniChem

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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 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))
BDBM50326381
PNG
(2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyri...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
Show InChI InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
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antibodypedia
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CHEMBL
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PC sid
UniChem

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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
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