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SMILES: NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=IFLSUSRRHKVTDA-MUJYYYPQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 432829   
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))		BDBM432829
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1- yl)sulfonyl)...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.16.15:13.12|
Show InChI InChI=1S/C19H29N5O4S/c20-13-5-7-23(8-6-13)29(26,27)24-15-3-4-16(24)10-14(9-15)21-19(25)17-11-18(28-22-17)12-1-2-12/h11-16H,1-10,20H2,(H,21,25)/t14-,15+,16-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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