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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 = 'BDBM356673'   
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))
BDBM356673
PNG
(N-(4′-((trans)-2-((4-aminocyclohexyl)amino)c...)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)C1CC1N[C@H]1CC[C@H](N)CC1 |r,wU:23.25,wD:26.29,(-.56,4.29,;.77,3.52,;2.1,4.29,;2.1,5.83,;3.44,6.6,;4.77,5.83,;6.1,6.6,;6.1,8.14,;6.1,9.68,;4.56,8.14,;7.64,8.14,;4.77,4.29,;3.44,3.52,;3.44,1.98,;4.77,1.21,;4.77,-.33,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,-2.64,;2.67,-3.97,;4.21,-3.97,;5.54,-4.74,;5.54,-6.28,;6.87,-7.05,;6.87,-8.59,;5.54,-9.36,;5.54,-10.9,;4.21,-8.59,;4.21,-7.05,)|
Show InChI InChI=1S/C23H31N3O3S/c1-29-23-12-11-19(26-30(2,27)28)13-21(23)16-5-3-15(4-6-16)20-14-22(20)25-18-9-7-17(24)8-10-18/h3-6,11-13,17-18,20,22,25-26H,7-10,14,24H2,1-2H3/t17-,18-,20?,22?
PDB
MMDB

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PC cid
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US Patent
n/an/a 27n/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US10214477 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
More data for this
Ligand-Target Pair