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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'N-lysine methyltransferase SMYD2' and Ligand = 'BDBM50247634'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))		BDBM50247634
PNG
(CHEMBL4067973)
Show SMILES N[C@@H](CCCN(CCc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23+/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay

J Med Chem 61: 1541-1551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01422
BindingDB Entry DOI: 10.7270/Q2FT8PF2
More data for this
Ligand-Target Pair