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BDBM50121213 CHEMBL3622371

SMILES: O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1

InChI Key: InChIKey=ZKIYEAILMJBDRZ-QLLQDVQFSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50121213   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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PubMed
n/an/a 300n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


J Med Chem 58: 7611-33 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens (Human))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD2 using H3K4 peptide as substrate assessed as decrease in H3K4 demethylation after 1 hr by mass spectroscopic anal...


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


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)


J Med Chem 58: 7611-33 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair