BDBM50236444 CHEMBL4090812

SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1

InChI Key InChIKey=SQSNNQXVJVEDMY-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50236444   

TargetAmine oxidase [flavin-containing] A(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236444(CHEMBL4090812)
Affinity DataIC50: 4.13E+4nMAssay Description:Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236444(CHEMBL4090812)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLysine-specific histone demethylase 2(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236444(CHEMBL4090812)
Affinity DataIC50: 1.29E+4nMAssay Description:Inhibition of KDM1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLysine-specific histone demethylase 1A/REST corepressor 1(Human)
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM50236444(CHEMBL4090812)
Affinity DataIC50: 7.80nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50236444(CHEMBL4090812)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of recombinant human KDM1A (158 to 852 residues) using H3K4Me2 peptide as substrate preincubated for 15 mins followed by substrate additio...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)