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SMILES: CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)(F)F)c1)=N/C#N)C(=O)CO

InChI Key: InChIKey=PLBHGLHOEKBMEQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 283186   
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 SMYD2


(Homo sapiens (Human))		BDBM283186
PNG
(Rac-N-[1-{N′-cyano-N-[3-fluoro-5-(trifluorom...)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|
Show InChI InChI=1S/C22H18Cl2F4N6O3/c1-2-33(19(36)10-35)18-9-34(32-20(18)12-3-4-16(23)17(24)5-12)21(30-11-29)31-14-6-13(25)7-15(8-14)37-22(26,27)28/h3-8,18,35H,2,9-10H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 108n/an/an/an/a9.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...

US Patent US10023539 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RKD
More data for this
Ligand-Target Pair