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BDBM50326391 (2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl}-4-fluoropyrrolidine-2-carbonitrile::CHEMBL1243127

SMILES: F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1

InChI Key: InChIKey=MLZSREQEKWMXEA-STECZYCISA-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 = 50326391   
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))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
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UniChem

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Article
PubMed
n/an/a 63n/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))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
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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 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))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
PDB
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Reactome pathway
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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 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))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
PDB
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B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
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))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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