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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase FAP' and Ligand = 'BDBM50135020'   
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
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135020
PNG
(CHEMBL3736135)
Show SMILES CCC(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H23F2N5O2/c1-2-17(27)23-19-13-7-26(8-16(13)24-25-19)11-6-15(22)18(28-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,18H,2,6-9,22H2,1H3,(H2,23,24,25,27)/t11-,15+,18-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair