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SMILES: CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=QOUCSZODWVCVGU-REPLKXPHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378456   
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))		BDBM378456
PNG
(N-((1R,3r,5S)-8-((4-(methylamino)piperidin-1-yl)su...)
Show SMILES CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:8:11:14.13:18.17.16|
Show InChI InChI=1S/C22H31N5O4S/c1-23-16-6-8-26(9-7-16)32(30,31)27-18-3-4-19(27)13-17(12-18)24-22(29)14-2-5-20-15(10-14)11-21(28)25-20/h2,5,10,16-19,23H,3-4,6-9,11-13H2,1H3,(H,24,29)(H,25,28)/t17-,18+,19-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13n/an/an/an/an/an/a



ENSCMu



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....

Bioorg Med Chem 14: 7241-57 (2006)


BindingDB Entry DOI: 10.7270/Q2DJ5HX2
More data for this
Ligand-Target Pair