new BindingDB logo
myBDB logout

BDBM50009503 CHEMBL3234185

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

InChI Key: InChIKey=YLPDLZXXTDSSIL-HCUBDLJJSA-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 = 50009503   
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))
BDBM50009503
PNG
(CHEMBL3234185)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H49N7O10S/c1-18(2)15-23(29(43)34-22(9-7-8-14-37(4,5)6)28(42)36-24(17-38)26(31)40)35-27(41)19(3)33-25(39)16-32-48(46,47)21-12-10-20(11-13-21)30(44)45/h10-13,18-19,22-24,32,38H,7-9,14-17H2,1-6H3,(H6-,31,33,34,35,36,39,40,41,42,43,44,45)/p+1/t19-,22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+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