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BDBM50231831 CHEMBL4086155

SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=OVVCKHWAFREJPO-DGPALRBDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50231831   
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))
BDBM50231831
PNG
(CHEMBL4086155)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C30H36F2N4O2S/c1-22-6-4-9-29(32)27(22)19-34-20-28(30(21-34)33(2)3)23-10-12-25(13-11-23)35-14-16-36(17-15-35)39(37,38)26-8-5-7-24(31)18-26/h4-13,18,28,30H,14-17,19-21H2,1-3H3/t28-,30+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 (EED)


(Homo sapiens (Human))
BDBM50231831
PNG
(CHEMBL4086155)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C30H36F2N4O2S/c1-22-6-4-9-29(32)27(22)19-34-20-28(30(21-34)33(2)3)23-10-12-25(13-11-23)35-14-16-36(17-15-35)39(37,38)26-8-5-7-24(31)18-26/h4-13,18,28,30H,14-17,19-21H2,1-3H3/t28-,30+/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 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