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BDBM50009494 CHEMBL3234176

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1Br)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=QQJNCALITJKOPK-HCUBDLJJSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009494   
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
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50009494
PNG
(CHEMBL3234176)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1Br)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C29H47BrN6O6/c1-18(2)15-23(34-27(40)19(3)32-25(38)16-20-11-7-8-12-21(20)30)29(42)33-22(13-9-10-14-36(4,5)6)28(41)35-24(17-37)26(31)39/h7-8,11-12,18-19,22-24,37H,9-10,13-17H2,1-6H3,(H5-,31,32,33,34,35,38,39,40,41,42)/p+1/t19-,22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.90E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair