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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 = 'BDBM291813'   
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))
BDBM291813
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-9-14(32(2,29)30)3-4-15(13)18-11-25-22(28-12-26-27-21(18)28)24-10-17-16-7-8-31-20(16)6-5-19(17)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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))
BDBM291813
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-9-14(32(2,29)30)3-4-15(13)18-11-25-22(28-12-26-27-21(18)28)24-10-17-16-7-8-31-20(16)6-5-19(17)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.60n/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))
BDBM291813
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-9-14(32(2,29)30)3-4-15(13)18-11-25-22(28-12-26-27-21(18)28)24-10-17-16-7-8-31-20(16)6-5-19(17)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.5n/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