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BDBM50235645 CHEMBL4099707

SMILES: CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1COc2cccc(F)c12

InChI Key: InChIKey=NBBWCPGLAAKDBU-QMMLZNLJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235645   
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 (EED)


(Homo sapiens (Human))		BDBM50235645
PNG
(CHEMBL4099707)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1COc2cccc(F)c12 |r|
Show InChI InChI=1S/C23H26FN3O/c1-25(2)20-13-27(21-14-28-22-10-6-8-18(24)23(21)22)12-17(20)16-11-26(3)19-9-5-4-7-15(16)19/h4-11,17,20-21H,12-14H2,1-3H3/t17-,20+,21+/m1/s1
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Article
PubMed
 610n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay

Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair