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BDBM50231863 CHEMBL4066590

SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC2(CNC(=O)O2)CC1

InChI Key: InChIKey=QWNVXJNNZSGENC-NOZRDPDXSA-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 = 50231863   
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 (EED)


(Homo sapiens (Human))
BDBM50231863
PNG
(CHEMBL4066590)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC2(CNC(=O)O2)CC1 |r|
Show InChI InChI=1S/C27H35FN4O2/c1-19-5-4-6-24(28)22(19)15-31-16-23(25(17-31)30(2)3)20-7-9-21(10-8-20)32-13-11-27(12-14-32)18-29-26(33)34-27/h4-10,23,25H,11-18H2,1-3H3,(H,29,33)/t23-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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 (EED)


(Homo sapiens (Human))
BDBM50231863
PNG
(CHEMBL4066590)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC2(CNC(=O)O2)CC1 |r|
Show InChI InChI=1S/C27H35FN4O2/c1-19-5-4-6-24(28)22(19)15-31-16-23(25(17-31)30(2)3)20-7-9-21(10-8-20)32-13-11-27(12-14-32)18-29-26(33)34-27/h4-10,23,25H,11-18H2,1-3H3,(H,29,33)/t23-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 140n/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