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SMILES: CCC[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=JCYQUDXDXRUXPF-RTBURBONSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 433073   
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 SMYD3


(Homo sapiens (Human))		BDBM433073
PNG
(5-cyclopropyl-N-((2R,4R)-1-(((1- methylpiperidin-4...)
Show SMILES CCC[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
Show InChI InChI=1S/C22H36N4O4S/c1-3-4-19-13-18(23-22(27)20-14-21(30-24-20)17-5-6-17)9-12-26(19)31(28,29)15-16-7-10-25(2)11-8-16/h14,16-19H,3-13,15H2,1-2H3,(H,23,27)/t18-,19-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.14n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....

US Patent US10577363 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ68G7
More data for this
Ligand-Target Pair