BDBM223984 rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine (1)

SMILES Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC

InChI Key InChIKey=CXQQECCQTKSQKN-UHFFFAOYSA-N

Data  4 KI  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 223984   

TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataKd:  3.80E+4nMAssay Description:Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataIC50: 1.57E+3nMAssay Description:Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubated for 20 mins in presence of biotinylated H3K27me3 peptide (19 to 33 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataIC50: 1.57E+3nMAssay Description:Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubated for 20 mins in presence of biotinylated H3K27me3 peptide (19 to 33 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataKi:  600nMAssay Description:Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataKi:  600nMAssay Description:Binding affinity to GST tagged EED (unknown origin) after 1 hr by OG(488) probe based TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataKi:  600nMAssay Description:Binding affinity to EED (unknown origin) by TR-FRET based binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223984(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.07kcal/molepH: 7.5 T: 2°CAssay Description:For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)