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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50140043'   
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))
BDBM50140043
PNG
(CHEMBL3765529)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H37N3O2/c39-34(30-21-19-28(20-22-30)27-14-6-2-7-15-27)38-32(35(40)37-25-26-12-4-1-5-13-26)18-10-11-23-36-33-24-31(33)29-16-8-3-9-17-29/h1-9,12-17,19-22,31-33,36H,10-11,18,23-25H2,(H,37,40)(H,38,39)/t31?,32-,33?/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal hexahistidine-tagged human LSD1 (1 to 852 amino acids) expressed in Escherichia coli BL21 (DE3) cells using H3K4me2 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140043
PNG
(CHEMBL3765529)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H37N3O2/c39-34(30-21-19-28(20-22-30)27-14-6-2-7-15-27)38-32(35(40)37-25-26-12-4-1-5-13-26)18-10-11-23-36-33-24-31(33)29-16-8-3-9-17-29/h1-9,12-17,19-22,31-33,36H,10-11,18,23-25H2,(H,37,40)(H,38,39)/t31?,32-,33?/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 480n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair