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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fibroblast activation protein (FAP)' and Ligand = 'BDBM50434169'   
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))
BDBM50434169
PNG
(CHEMBL2385300 | US9346814, Cmpd No 22 Example 26)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10n/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))
BDBM50434169
PNG
(CHEMBL2385300 | US9346814, Cmpd No 22 Example 26)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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))
BDBM50434169
PNG
(CHEMBL2385300 | US9346814, Cmpd No 22 Example 26)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/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))
BDBM50434169
PNG
(CHEMBL2385300 | US9346814, Cmpd No 22 Example 26)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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