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SMILES: C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@H]1CC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=BHNXIQIJVONHDU-SDADXPQNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 433068   
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))		BDBM433068
PNG
(N-((2S,4S)-1-((((1S,3S)-3- aminocyclopentyl)methyl...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@H]1CC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
Show InChI InChI=1S/C19H30N4O4S/c1-12-8-16(21-19(24)17-10-18(27-22-17)14-3-4-14)6-7-23(12)28(25,26)11-13-2-5-15(20)9-13/h10,12-16H,2-9,11,20H2,1H3,(H,21,24)/t12-,13-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.950n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


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....

US Patent US10577363 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ68G7
More data for this
Ligand-Target Pair