BindingDB logo
myBDB logout

BDBM50526220 CHEMBL4539914

SMILES: COc1cc2c(NC(CN=C2NC2CCN(CC2)C(C)C)C2CCCCC2)cc1OCCCN1CCCC1

InChI Key: InChIKey=KEEFTCVVUFHDAV-UHFFFAOYSA-N

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 = 50526220   
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
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))		BDBM50526220
PNG
(CHEMBL4539914)
Show SMILES COc1cc2c(NC(CN=C2NC2CCN(CC2)C(C)C)C2CCCCC2)cc1OCCCN1CCCC1 |c:9|
Show InChI InChI=1S/C31H51N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25,28,34H,4-19,22H2,1-3H3,(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 955n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) after 30 mins in presence of SAM by AlphaLISA assay

J Med Chem 62: 2666-2689 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02008
More data for this
Ligand-Target Pair