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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM126716'   
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
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM126716
PNG
(US8785634, 86)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OC(c1ccccc21)c1ccccn1
Show InChI InChI=1S/C24H21F3N2O4S/c25-24(26,27)32-17-8-10-18(11-9-17)34(30,31)29-15-12-23(13-16-29)20-6-2-1-5-19(20)22(33-23)21-7-3-4-14-28-21/h1-11,14,22H,12-13,15-16H2
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 7.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...


US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair