BDBM121393 US8722877, 18

SMILES: CC(C)N(CCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(C)(C)C)CC1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12

InChI Key: InChIKey=JHPZZWSSEJCBRJ-KYSCMSHESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 121393   

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, H3 lysine-79 specific (Homo sapiens (Human))	BDBM121393 (US8722877, 18) Show SMILES CC(C)N(CCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(C)(C)C)CC1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H41N9O4/c1-16(2)37(14-21-22(39)23(40)26(42-21)38-12-9-18-24(30)32-15-33-25(18)38)11-6-10-31-28(41)36-27-34-19-8-7-17(29(3,4)5)13-20(19)35-27/h7-9,12-13,15-16,21-23,26,39-40H,6,10-11,14H2,1-5H3,(H2,30,32,33)(H3,31,34,35,36,41)/t21?,22-,23-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	8.0	25
Epizyme, Inc. US Patent					Assay Description Compound was serially diluted 3 fold in DMSO for 10 points and 1 μl was plated in a 384 well microtiter plate. Positive control (100% inhibition...				US Patent US8722877 (2014) BindingDB Entry DOI: 10.7270/Q2X63KKV
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