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BDBM50231837 CHEMBL4079307

SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=URZVOKCOMSXARX-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 = 50231837   
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))
BDBM50231837
PNG
(CHEMBL4079307)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccncc1 |r|
Show InChI InChI=1S/C29H36FN5/c1-22-5-4-6-28(30)26(22)19-33-20-27(29(21-33)32(2)3)23-7-9-24(10-8-23)34-15-17-35(18-16-34)25-11-13-31-14-12-25/h4-14,27,29H,15-21H2,1-3H3/t27-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/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))
BDBM50231837
PNG
(CHEMBL4079307)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccncc1 |r|
Show InChI InChI=1S/C29H36FN5/c1-22-5-4-6-28(30)26(22)19-33-20-27(29(21-33)32(2)3)23-7-9-24(10-8-23)34-15-17-35(18-16-34)25-11-13-31-14-12-25/h4-14,27,29H,15-21H2,1-3H3/t27-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/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