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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50180972   
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))		BDBM50180972
PNG
(CHEMBL3817978)
Show SMILES CCN(C1CN(N=C1c1ccc2OCOc2c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|
Show InChI InChI=1S/C23H22F2N6O5/c1-2-30(20(33)11-32)17-10-31(29-21(17)14-6-7-18-19(8-14)35-13-34-18)23(27-12-26)28-15-4-3-5-16(9-15)36-22(24)25/h3-9,17,22,32H,2,10-11,13H2,1H3,(H,27,28)
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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay

J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair