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SMILES: O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=NGLURTUNOTUWMZ-QEIWAGNOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378454   
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))		BDBM378454
PNG
(N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
Show InChI InChI=1S/C28H35N5O4S/c34-27-15-21-14-20(6-9-26(21)31-27)28(35)30-23-16-24-7-8-25(17-23)33(24)38(36,37)32-12-10-22(11-13-32)29-18-19-4-2-1-3-5-19/h1-6,9,14,22-25,29H,7-8,10-13,15-18H2,(H,30,35)(H,31,34)/t23-,24+,25-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.98n/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