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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 = 'BDBM504315'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504315
PNG
(N-(37-oxo-39-(4'-((trans)-2- | US11034991, Example...)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1
Show InChI InChI=1S/C57H92N6O14S/c64-54(7-2-1-6-53-56-52(44-78-53)62-57(66)63-56)59-18-20-67-22-24-69-26-28-71-30-32-73-34-36-75-38-40-77-41-39-76-37-35-74-33-31-72-29-27-70-25-23-68-21-19-60-55(65)13-8-45-4-3-5-48(42-45)46-9-11-47(12-10-46)50-43-51(50)61-49-14-16-58-17-15-49/h3-5,9-12,42,49-53,56,58,61H,1-2,6-8,13-41,43-44H2,(H,59,64)(H,60,65)(H2,62,63,66)/t50-,51+,52-,53-,56-/m0/s1
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MMDB

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US Patent
n/an/a 126n/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair