BDBM223986 (3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine (3)

SMILES Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F

InChI Key InChIKey=XAWMNFFOVCNWGF-UHFFFAOYSA-N

Data  4 KI  3 IC50  1 Kd

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 8 hits for monomerid = 223986   

TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataIC50: 290nMAssay Description:Inhibition of EED in human G401 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA methodMore 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
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataIC50: 660nMAssay Description:Inhibition of EED in human OCILY19 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA methodMore 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
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataKd:  10nMAssay Description:Binding affinity to His tagged human EED (77 to 441 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC methodMore 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
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataIC50: 290nMAssay Description:Inhibition of GST-tagged EED in human G-401 cells assessed as inhibition of histone trimethylation by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataKi:  1nM ΔG°:  -12.3kcal/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)
TargetPolycomb protein EED(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataKi:  1nMAssay 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
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataKi:  11nMAssay 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
LigandPNGBDBM223986((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Affinity DataKi:  11nMAssay Description:Binding affinity to GST-tagged EED (unknown origin) assessed as inhibition constant incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)