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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50523251'   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50523251
PNG
(CHEMBL4475385)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1
Show InChI InChI=1S/C25H27N9S/c1-17-15-23(27-18-7-9-19(10-8-18)33-13-11-32(2)12-14-33)34-24(26-17)30-25(31-34)35-16-22-28-20-5-3-4-6-21(20)29-22/h3-10,15,27H,11-14,16H2,1-2H3,(H,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate by amplex red and horseradish peroxida...


Eur J Med Chem 167: 388-401 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.039
BindingDB Entry DOI: 10.7270/Q2ST7T7R
More data for this
Ligand-Target Pair