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SMILES: CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(N)CC3)c(Cl)cc12

InChI Key: InChIKey=QPPRBKDCKPYCMQ-BJWYYQGGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378471   
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))		BDBM378471
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(N)CC3)c(Cl)cc12 |r,TLB:19:18:12.11.17:15.14|
Show InChI InChI=1S/C22H30ClN5O4S/c1-26-20-12-19(23)18(8-13(20)9-21(26)29)22(30)25-15-10-16-2-3-17(11-15)28(16)33(31,32)27-6-4-14(24)5-7-27/h8,12,14-17H,2-7,9-11,24H2,1H3,(H,25,30)/t15-,16+,17-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.5n/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