BindingDB logo
myBDB logout

null

SMILES: CC(=O)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc2c(N)ncnc12

InChI Key: InChIKey=XTQCCCYGJKULEK-UEOMBKFZSA-N

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 = 121395   
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, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM121395
PNG
(US8722877, 21)
Show SMILES CC(=O)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H37N7O5/c1-16(35)33(12-5-11-29-26(38)32-18-8-6-17(7-9-18)27(2,3)4)14-20-21(36)22(37)25(39-20)34-13-10-19-23(28)30-15-31-24(19)34/h6-10,13,15,20-22,25,36-37H,5,11-12,14H2,1-4H3,(H2,28,30,31)(H2,29,32,38)/t20-,21-,22-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a<1.00E+3n/an/an/an/a8.025



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
More data for this
Ligand-Target Pair