BindingDB logo
myBDB logout

null

SMILES: C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=WENKRIKNVKKEOX-KSSFIOAISA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378466   
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))		BDBM378466
PNG
(N-((2S,4S)-2-methyl-1-((piperidin-4-ylmethyl)sulfo...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
Show InChI InChI=1S/C21H30N4O4S/c1-14-10-18(6-9-25(14)30(28,29)13-15-4-7-22-8-5-15)23-21(27)16-2-3-19-17(11-16)12-20(26)24-19/h2-3,11,14-15,18,22H,4-10,12-13H2,1H3,(H,23,27)(H,24,26)/t14-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.42n/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