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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 = 'BDBM291876'   
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))
BDBM291876
PNG
(8-(4-(difluoromethyl)pyrimidin-5-yl)-N-((5-fluoro-...)
Show SMILES FC(F)c1ncncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H14F3N7O/c20-14-1-2-15-10(3-4-30-15)11(14)6-24-19-25-7-13(18-28-27-9-29(18)19)12-5-23-8-26-16(12)17(21)22/h1-2,5,7-9,17H,3-4,6H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/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))
BDBM291876
PNG
(8-(4-(difluoromethyl)pyrimidin-5-yl)-N-((5-fluoro-...)
Show SMILES FC(F)c1ncncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H14F3N7O/c20-14-1-2-15-10(3-4-30-15)11(14)6-24-19-25-7-13(18-28-27-9-29(18)19)12-5-23-8-26-16(12)17(21)22/h1-2,5,7-9,17H,3-4,6H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.1n/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))
BDBM291876
PNG
(8-(4-(difluoromethyl)pyrimidin-5-yl)-N-((5-fluoro-...)
Show SMILES FC(F)c1ncncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H14F3N7O/c20-14-1-2-15-10(3-4-30-15)11(14)6-24-19-25-7-13(18-28-27-9-29(18)19)12-5-23-8-26-16(12)17(21)22/h1-2,5,7-9,17H,3-4,6H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.4n/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