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BDBM504316 N-(37-oxo-39-(4'-((trans)-2-::US11034991, Example 1.5

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]1NCC1CCNCC1

InChI Key: InChIKey=JVXQPYWBEREMBQ-JIOQDKOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 504316   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504316
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]1NCC1CCNCC1
Show InChI InChI=1S/C58H94N6O14S/c65-55(7-2-1-6-54-57-53(45-79-54)63-58(67)64-57)60-18-20-68-22-24-70-26-28-72-30-32-74-34-36-76-38-40-78-41-39-77-37-35-75-33-31-73-29-27-71-25-23-69-21-19-61-56(66)13-8-46-4-3-5-50(42-46)48-9-11-49(12-10-48)51-43-52(51)62-44-47-14-16-59-17-15-47/h3-5,9-12,42,47,51-54,57,59,62H,1-2,6-8,13-41,43-45H2,(H,60,65)(H,61,66)(H2,63,64,67)/t51-,52+,53-,54-,57-/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 41n/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