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SMILES: COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCCC1

InChI Key: InChIKey=TYZWAPLQKBBACA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051386   
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
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051386
PNG
(CHEMBL3318305)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCCC1
Show InChI InChI=1S/C26H41N5O2/c1-30(20-12-6-4-7-13-20)26-28-22-19-24(33-3)23(32-2)18-21(22)25(29-26)27-14-8-5-9-15-31-16-10-11-17-31/h18-20H,4-17H2,1-3H3,(H,27,28,29)
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Similars
Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...

J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair