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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM50001308'   
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)
BDBM50001308
PNG
(CHEMBL3237393)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4.C2HF3O2/c1-32-27(21-25(31-32)23-10-12-24(29)13-11-23)28(26-9-5-6-17-30-26)15-19-33(20-16-28)18-14-22-7-3-2-4-8-22;3-2(4,5)1(6)7/h2-13,17,21H,14-16,18-20H2,1H3;(H,6,7)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001308
PNG
(CHEMBL3237393)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4.C2HF3O2/c1-32-27(21-25(31-32)23-10-12-24(29)13-11-23)28(26-9-5-6-17-30-26)15-19-33(20-16-28)18-14-22-7-3-2-4-8-22;3-2(4,5)1(6)7/h2-13,17,21H,14-16,18-20H2,1H3;(H,6,7)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair