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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50016430
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Polycomb protein EED
(Homo sapiens (Human))
BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI
InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
0.400
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114144
BindingDB Entry DOI:
10.7270/Q2DN4921
More data for this
Ligand-Target Pair
3D Structure (crystal)
Polycomb protein EED
(Homo sapiens (Human))
BDBM50563656
(CHEMBL4754048)
Show SMILES
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(F)cc2F)n2cnnc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114144
BindingDB Entry DOI:
10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED
(Homo sapiens (Human))
BDBM50563658
(CHEMBL4748924)
Show SMILES
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(cc2F)C#N)n2cnnc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114144
BindingDB Entry DOI:
10.7270/Q2DN4921
More data for this
Ligand-Target Pair
3D Structure (crystal)
Polycomb protein EED
(Homo sapiens (Human))
BDBM50563659
(CHEMBL4759335)
Show SMILES
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(N)cc2F)n2cnnc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114144
BindingDB Entry DOI:
10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED
(Homo sapiens (Human))
BDBM50563657
(CHEMBL4762963)
Show SMILES
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(Cl)cc2F)n2cnnc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
2.40
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114144
BindingDB Entry DOI:
10.7270/Q2DN4921
More data for this
Ligand-Target Pair
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