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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 = 'BDBM254596'   
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))
BDBM254596
PNG
(US10214477, Example 55 | US9469597, 55 | US9670136...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
Show InChI InChI=1S/C26H36N4O/c27-21-6-8-22(9-7-21)29-26-17-25(26)20-4-10-24(11-5-20)31-18-19-2-1-3-23(16-19)30-14-12-28-13-15-30/h1-5,10-11,16,21-22,25-26,28-29H,6-9,12-15,17-18,27H2/t21?,22?,25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254596
PNG
(US10214477, Example 55 | US9469597, 55 | US9670136...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
Show InChI InChI=1S/C26H36N4O/c27-21-6-8-22(9-7-21)29-26-17-25(26)20-4-10-24(11-5-20)31-18-19-2-1-3-23(16-19)30-14-12-28-13-15-30/h1-5,10-11,16,21-22,25-26,28-29H,6-9,12-15,17-18,27H2/t21?,22?,25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/a7.425



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 US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair