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BDBM50009329 CHEMBL3233552

SMILES: O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1

InChI Key: InChIKey=KXWJQHHCYYJBCT-LGWFVXIRNA-N

Data: 4 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 4 hits for monomerid = 50009329   
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 (FAP)


(Mus musculus (Mouse))
BDBM50009329
PNG
(CHEMBL3233552)
Show SMILES O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1
Show InChI InChI=1/C20H22N6O2/c21-10-18-6-3-9-26(18)20(28)14-25-13-17(22-23-25)7-8-19(27)24-11-15-4-1-2-5-16(15)12-24/h1-2,4-5,13,18H,3,6-9,11-12,14H2/t18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009329
PNG
(CHEMBL3233552)
Show SMILES O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1
Show InChI InChI=1/C20H22N6O2/c21-10-18-6-3-9-26(18)20(28)14-25-13-17(22-23-25)7-8-19(27)24-11-15-4-1-2-5-16(15)12-24/h1-2,4-5,13,18H,3,6-9,11-12,14H2/t18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009329
PNG
(CHEMBL3233552)
Show SMILES O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1
Show InChI InChI=1/C20H22N6O2/c21-10-18-6-3-9-26(18)20(28)14-25-13-17(22-23-25)7-8-19(27)24-11-15-4-1-2-5-16(15)12-24/h1-2,4-5,13,18H,3,6-9,11-12,14H2/t18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009329
PNG
(CHEMBL3233552)
Show SMILES O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1
Show InChI InChI=1/C20H22N6O2/c21-10-18-6-3-9-26(18)20(28)14-25-13-17(22-23-25)7-8-19(27)24-11-15-4-1-2-5-16(15)12-24/h1-2,4-5,13,18H,3,6-9,11-12,14H2/t18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair