null

SMILES: NC1CCC(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=JYZQPJRVTADXNE-JSGMBBGDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 432822   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM432822 (N-((1R,3r,5S)-8-((4- aminocyclohexyl)sulfonyl)-8- ...) Show SMILES NC1CCC(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:16.20,wD:11.11,14.15,THB:7:10:16.17.15:12.13,(9.34,-1.2,;8.01,-.43,;6.67,-1.2,;5.34,-.43,;5.34,1.11,;6.67,1.88,;8.01,1.11,;4.01,1.88,;3.24,3.21,;4.78,3.21,;2.67,1.11,;2.67,-.43,;1.13,-.43,;.57,.55,;1.34,1.88,;.01,1.11,;.01,-.43,;1.34,-1.2,;-1.33,-1.2,;-2.66,-.43,;-2.66,1.11,;-4,-1.2,;-5.46,-.72,;-6.37,-1.97,;-5.46,-3.21,;-4,-2.74,;-7.85,-1.57,;-8.94,-.48,;-9.34,-1.97,)| Show InChI InChI=1S/C20H30N4O4S/c21-13-3-7-17(8-4-13)29(26,27)24-15-5-6-16(24)10-14(9-15)22-20(25)18-11-19(28-23-18)12-1-2-12/h11-17H,1-10,21H2,(H,22,25)/t13?,14-,15+,16-,17?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/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