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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5
BDBM50328531

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

Found 2 hits 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))
BDBM50328531
PNG
(3-(Biphenyl-4-yl)-1-{2-[5-(3-fluorophenyl)-1H-imid...)
Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C30H30FN3O/c1-30(2,19-21-13-15-23(16-14-21)22-8-4-3-5-9-22)29(35)34-17-7-12-27(34)28-32-20-26(33-28)24-10-6-11-25(31)18-24/h3-6,8-11,13-16,18,20,27H,7,12,17,19H2,1-2H3,(H,32,33)/t27-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50328531
PNG
(3-(Biphenyl-4-yl)-1-{2-[5-(3-fluorophenyl)-1H-imid...)
Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C30H30FN3O/c1-30(2,19-21-13-15-23(16-14-21)22-8-4-3-5-9-22)29(35)34-17-7-12-27(34)28-32-20-26(33-28)24-10-6-11-25(31)18-24/h3-6,8-11,13-16,18,20,27H,7,12,17,19H2,1-2H3,(H,32,33)/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET in presence of 1% mouse serum albumin


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair