BindingDB logo
myBDB logout

BDBM50231864 CHEMBL4094127

SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=DUGKVMABTRNHPL-PXJZQJOASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50231864   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))
BDBM50231864
PNG
(CHEMBL4094127)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N1CCOCC1 |r|
Show InChI InChI=1S/C29H41FN4O/c1-22-5-4-6-28(30)26(22)19-32-20-27(29(21-32)31(2)3)23-7-9-24(10-8-23)33-13-11-25(12-14-33)34-15-17-35-18-16-34/h4-10,25,27,29H,11-21H2,1-3H3/t27-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of pyrrolidine inhibitor-based oregon-green probe binding to GST-tagged EED (unknown origin) after 1 hr by assay explorer integrated Lanth...


ACS Med Chem Lett 8: 461-465 (2017)


BindingDB Entry DOI: 10.7270/Q2XS5XM2
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50231864
PNG
(CHEMBL4094127)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N1CCOCC1 |r|
Show InChI InChI=1S/C29H41FN4O/c1-22-5-4-6-28(30)26(22)19-32-20-27(29(21-32)31(2)3)23-7-9-24(10-8-23)33-13-11-25(12-14-33)34-15-17-35-18-16-34/h4-10,25,27,29H,11-21H2,1-3H3/t27-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 60n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of pyrrolidine inhibitor-based oregon-green probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


ACS Med Chem Lett 8: 461-465 (2017)


BindingDB Entry DOI: 10.7270/Q2XS5XM2
More data for this
Ligand-Target Pair