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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 = 'BDBM50383426'   
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


(Mus musculus)
BDBM50383426
PNG
(CHEMBL2031589)
Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C28H30Cl2F2N4O/c1-16-11-25(36(34-16)26-12-18(29)3-6-23(26)30)17-7-9-35(10-8-17)27(37)22-15-28(2,33)14-21(22)20-5-4-19(31)13-24(20)32/h3-6,11-13,17,21-22H,7-10,14-15,33H2,1-2H3/t21-,22+,28-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 2818-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7
More data for this
Ligand-Target Pair