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SMILES: CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=XZHGIMVHJDSROT-FNLKRUPLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378460   
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))		BDBM378460
PNG
(N-((1R,3r,5S)-8-((4-(dimethylamino)piperidin-1-yl)...)
Show SMILES CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:9:12:15.14:19.18.17|
Show InChI InChI=1S/C23H33N5O4S/c1-26(2)18-7-9-27(10-8-18)33(31,32)28-19-4-5-20(28)14-17(13-19)24-23(30)15-3-6-21-16(11-15)12-22(29)25-21/h3,6,11,17-20H,4-5,7-10,12-14H2,1-2H3,(H,24,30)(H,25,29)/t17-,19+,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.89n/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