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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polycomb protein EED' and Ligand = 'BDBM50282165'   
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))
BDBM50282165
PNG
(CHEMBL4168151)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H50N6O6/c1-21(27(32)39)33-30(42)25(19-22-13-7-5-8-14-22)35-29(41)24(17-11-12-18-37(2,3)4)34-31(43)26(20-38)36-28(40)23-15-9-6-10-16-23/h5,7-8,13-14,21,23-26,38H,6,9-12,15-20H2,1-4H3,(H5-,32,33,34,35,36,39,40,41,42,43)/p+1/t21-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/a 4.74E+3n/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae


Citation and Details
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50282165
PNG
(CHEMBL4168151)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H50N6O6/c1-21(27(32)39)33-30(42)25(19-22-13-7-5-8-14-22)35-29(41)24(17-11-12-18-37(2,3)4)34-31(43)26(20-38)36-28(40)23-15-9-6-10-16-23/h5,7-8,13-14,21,23-26,38H,6,9-12,15-20H2,1-4H3,(H5-,32,33,34,35,36,39,40,41,42,43)/p+1/t21-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair