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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 601.1
BDBM104818

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM104818
PNG
(US8569299, 7)
Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@](C)(C[C@H]2c2ccc(F)cc2F)N2CCOCC2)n(n1)-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C32H36ClF3N4O2/c1-20-15-30(40(37-20)23-4-6-28(35)27(33)17-23)21-7-9-38(10-8-21)31(41)26-19-32(2,39-11-13-42-14-12-39)18-25(26)24-5-3-22(34)16-29(24)36/h3-6,15-17,21,25-26H,7-14,18-19H2,1-2H3/t25-,26+,32-/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 6.30n/an/an/an/a5.537



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...


US Patent US8569299 (2013)


BindingDB Entry DOI: 10.7270/Q2K9365V
More data for this
Ligand-Target Pair