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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 = 'BDBM50142248'   
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))
BDBM50142248
PNG
(CHEMBL3759283)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N4O/c26-14-18-1-5-21(6-2-18)24-13-23(30-17-20-9-11-28-12-10-20)16-29-25(24)22-7-3-19(15-27)4-8-22/h1-8,13,16,20,28H,9-12,17H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair