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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Fibroblast activation protein (FAP)' and Ligand = 'BDBM50434188'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/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
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 10.3n/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))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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