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BDBM50326379 (2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile::CHEMBL1242966

SMILES: FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=AGDIQXJJZSTMQS-JQFCIGGWSA-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 = 50326379   
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))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
PDB

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UniProtKB/SwissProt

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 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 (DPP4)


(Homo sapiens (human))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
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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 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))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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 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 IX


(Homo sapiens (human))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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