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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 = 'BDBM50241656'   
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))
BDBM50241656
PNG
(CHEMBL4092154)
Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
42n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50241656
PNG
(CHEMBL4092154)
Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50241656
PNG
(CHEMBL4092154)
Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 290n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair