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BDBM504313 N-(27-(4'-((trans)-2-(((trans)-4-::US11034991, Example 1.2

SMILES: N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1

InChI Key: InChIKey=TUTXAPWXXUVCFR-ZIPUMEKMSA-N

Data: 1 IC50

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Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 504313   
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))
BDBM504313
PNG
(N-(27-(4'-((trans)-2-(((trans)-4- | US11034991, Ex...)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C50H78N6O10S/c51-41-13-15-42(16-14-41)54-44-35-43(44)39-11-9-38(10-12-39)40-5-3-4-37(34-40)8-17-48(58)53-19-21-61-23-25-63-27-29-65-31-33-66-32-30-64-28-26-62-24-22-60-20-18-52-47(57)7-2-1-6-46-49-45(36-67-46)55-50(59)56-49/h3-5,9-12,34,41-46,49,54H,1-2,6-8,13-33,35-36,51H2,(H,52,57)(H,53,58)(H2,55,56,59)/t41-,42-,43-,44+,45-,46-,49-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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