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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 = 'BDBM291689'   
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))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/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))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
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
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