BDBM50594085 CHEMBL5178765

SMILES CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC

InChI Key InChIKey=UAQFERXHHSHKOB-UHFFFAOYSA-N

Data  2 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50594085   

TargetREST corepressor 1(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50594085(CHEMBL5178765)
Affinity DataKd:  75nMAssay Description:Binding affinity to human LSD1/CoREST assessed as dissociation constant by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetREST corepressor 1(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50594085(CHEMBL5178765)
Affinity DataKi:  156nMAssay Description:Inhibition of human LSD1/CoREST using histone H3 peptide as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50594085(CHEMBL5178765)
Affinity DataKi:  2.93E+3nMAssay Description:Inhibition of G9a (unknown origin) assessed as reduction in substrate methylation using histone H3 and SAM as substrate measured after 15 to 60 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed