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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 = 'BDBM50540643'   
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))
BDBM50540643
PNG
(CHEMBL4639941)
Show SMILES CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C28H36N4OS/c1-3-6-22-20-32(28(30-22)26-19-27-25(31(26)2)14-18-34-27)17-5-7-21-9-11-24(12-10-21)33-23-8-4-15-29-16-13-23/h9-12,14,18-20,23,29H,3-8,13,15-17H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair