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BDBM504312 US11034991, Example 1.1::US11034991, Example 1.6

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

InChI Key: InChIKey=RMOQPPLSPUOMOG-UINAPCLYSA-N

Data: 2 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 504312   
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))
BDBM504312
PNG
(US11034991, Example 1.1 | US11034991, Example 1.6)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C58H94N6O14S/c59-49-13-15-50(16-14-49)62-52-43-51(52)47-11-9-46(10-12-47)48-5-3-4-45(42-48)8-17-56(66)61-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-78-40-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-60-55(65)7-2-1-6-54-57-53(44-79-54)63-58(67)64-57/h3-5,9-12,42,49-54,57,62H,1-2,6-8,13-41,43-44,59H2,(H,60,65)(H,61,66)(H2,63,64,67)/t49-,50-,51-,52+,53-,54-,57-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504312
PNG
(US11034991, Example 1.1 | US11034991, Example 1.6)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C58H94N6O14S/c59-49-13-15-50(16-14-49)62-52-43-51(52)47-11-9-46(10-12-47)48-5-3-4-45(42-48)8-17-56(66)61-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-78-40-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-60-55(65)7-2-1-6-54-57-53(44-79-54)63-58(67)64-57/h3-5,9-12,42,49-54,57,62H,1-2,6-8,13-41,43-44,59H2,(H,60,65)(H,61,66)(H2,63,64,67)/t49-,50-,51-,52+,53-,54-,57-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 133n/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