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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50468502'   
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
Peregrin


(Homo sapiens (Human))
BDBM50468502
PNG
(CHEMBL4289527)
Show SMILES CCN(CC)c1cc2n(C)c(=O)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC
Show InChI InChI=1S/C22H26N4O4/c1-6-26(7-2)16-13-18-17(24(3)21(28)22(29)25(18)4)12-15(16)23-20(27)14-10-8-9-11-19(14)30-5/h8-13H,6-7H2,1-5H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 770n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged BRPF1 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay


Eur J Med Chem 155: 337-352 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.037
BindingDB Entry DOI: 10.7270/Q2FJ2KG7
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50468502
PNG
(CHEMBL4289527)
Show SMILES CCN(CC)c1cc2n(C)c(=O)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC
Show InChI InChI=1S/C22H26N4O4/c1-6-26(7-2)16-13-18-17(24(3)21(28)22(29)25(18)4)12-15(16)23-20(27)14-10-8-9-11-19(14)30-5/h8-13H,6-7H2,1-5H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.70E+3n/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


Eur J Med Chem 155: 337-352 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.037
BindingDB Entry DOI: 10.7270/Q2FJ2KG7
More data for this
Ligand-Target Pair