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BDBM50434167 CHEMBL2385302::US9346814, Cmpd No 8 Example 11

SMILES: FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1

InChI Key: InChIKey=VSNIZLIYSJARCU-NSHDSACASA-N

Data: 7 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 7 hits for monomerid = 50434167   
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))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


ACS Med Chem Lett 4: 491-6 (2013)


Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 710n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substra...


ACS Med Chem Lett 4: 491-6 (2013)


Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50434167
PNG
(CHEMBL2385302 | US9346814, Cmpd No 8 Example 11)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair