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SMILES: O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=FCMOTKQWWDHDRF-MRBRCQLDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378457   
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))		BDBM378457
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-3-ylmethyl)sulfo...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
Show InChI InChI=1S/C22H30N4O4S/c27-21-9-16-8-15(3-6-20(16)25-21)22(28)24-17-10-18-4-5-19(11-17)26(18)31(29,30)13-14-2-1-7-23-12-14/h3,6,8,14,17-19,23H,1-2,4-5,7,9-13H2,(H,24,28)(H,25,27)/t14?,17-,18+,19-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.14n/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