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BDBM50009502 CHEMBL3234184

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=PKXKNKOGXZBRIS-LFBFJMOVSA-O

Data: 1 IC50

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 1 hit for monomerid = 50009502   
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))
BDBM50009502
PNG
(CHEMBL3234184)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H51N7O8S/c1-19(2)16-24(30(43)34-23(10-8-9-15-37(5,6)7)29(42)36-25(18-38)27(31)40)35-28(41)21(4)33-26(39)17-32-46(44,45)22-13-11-20(3)12-14-22/h11-14,19,21,23-25,32,38H,8-10,15-18H2,1-7H3,(H5-,31,33,34,35,36,39,40,41,42,43)/p+1/t21-,23-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+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