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SMILES: OCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1

InChI Key: InChIKey=DUFHMXAROOBBBJ-REPLKXPHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 432828   
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))		BDBM432828
PNG
(5-cyclopropyl-N-((1R,3r,5S)-8-(((1-(2- hydroxyethy...)
Show SMILES OCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:8:11:18.17.16:14.13|
Show InChI InChI=1S/C22H34N4O5S/c27-10-9-25-7-5-15(6-8-25)14-32(29,30)26-18-3-4-19(26)12-17(11-18)23-22(28)20-13-21(31-24-20)16-1-2-16/h13,15-19,27H,1-12,14H2,(H,23,28)/t17-,18+,19-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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