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BDBM50326390 (2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL1243126

SMILES: F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1

InChI Key: InChIKey=UYJOKMDLJXDDNB-QAETUUGQSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50326390   
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 VIII


(Homo sapiens (human))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/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 IX


(Homo sapiens (human))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/m0/s1
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n/an/a>5.00E+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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/m0/s1
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n/an/a 20n/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 4 (DPP4)


(Homo sapiens (human))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/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 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))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/m0/s1
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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 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