BindingDB logo
myBDB logout

BDBM50231832 CHEMBL4068385

SMILES: CNC(=O)C1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C

InChI Key: InChIKey=WHKSEYYFCPJUSL-RSXGOPAZSA-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 = 50231832   
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))
BDBM50231832
PNG
(CHEMBL4068385)
Show SMILES CNC(=O)C1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
Show InChI InChI=1S/C27H37FN4O/c1-19-6-5-7-25(28)23(19)16-31-17-24(26(18-31)30(3)4)20-8-10-22(11-9-20)32-14-12-21(13-15-32)27(33)29-2/h5-11,21,24,26H,12-18H2,1-4H3,(H,29,33)/t24-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/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))
BDBM50231832
PNG
(CHEMBL4068385)
Show SMILES CNC(=O)C1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
Show InChI InChI=1S/C27H37FN4O/c1-19-6-5-7-25(28)23(19)16-31-17-24(26(18-31)30(3)4)20-8-10-22(11-9-20)32-14-12-21(13-15-32)27(33)29-2/h5-11,21,24,26H,12-18H2,1-4H3,(H,29,33)/t24-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 110n/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