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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Polycomb protein EED' and Ligand = 'BDBM291814'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.40n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair