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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Polycomb protein EED' and Ligand = 'BDBM50562610'
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))
BDBM50562610
(CHEMBL4779022)
Show SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
Show InChI
PDB
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antibodypedia
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Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.80
n/a
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))
BDBM50562610
(CHEMBL4779022)
Show SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.537
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))
BDBM50562610
(CHEMBL4779022)
Show SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
<1
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to human N-terminal His6-tagged/thrombin cleavage site fused/ AVI-tagged EED (1 to 441 residues) expressed in Escherichia coli BL21(...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI:
10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Polycomb protein EED
(Homo sapiens (Human))
BDBM50562610
(CHEMBL4779022)
Show SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113906
BindingDB Entry DOI:
10.7270/Q2VM4H9B
More data for this
Ligand-Target Pair
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