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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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50562610   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))
BDBM50562610
PNG
(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|
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a<1n/an/an/an/an/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
PNG
(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|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/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
PNG
(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|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.537n/an/an/an/an/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
PNG
(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|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1n/an/an/an/an/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