BDBM50236453 CHEMBL4068323

SMILES Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C

InChI Key InChIKey=NAKRWHICVCPKFI-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50236453   

TargetLysine-specific histone demethylase 1A/REST corepressor 1(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236453(CHEMBL4068323)
Affinity DataIC50: 310nMAssay Description:Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific histone demethylase 1A/REST corepressor 1(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236453(CHEMBL4068323)
Affinity DataKi:  2.30E+3nMAssay Description:Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me peptide as substrate preincubated for 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)