BindingDB logo
myBDB logout

BDBM244795 US9446064, A86

SMILES: CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1

InChI Key:

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 = 244795   
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 H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))		BDBM244795
PNG
(US9446064, A86)
Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:5.10,3.2,wD:22.25,20.22,6.6,8.9,(-2.45,-1.08,;-2.84,.41,;-4.18,1.18,;-5.51,.41,;-5.51,-1.13,;-6.98,-1.6,;-7.88,-.36,;-9.42,-.36,;-6.98,.89,;-7.75,2.22,;-7.75,-2.94,;-6.84,-4.18,;-7.75,-5.43,;-9.21,-4.95,;-10.55,-5.72,;-10.55,-7.26,;-11.88,-4.95,;-11.88,-3.41,;-10.55,-2.64,;-9.21,-3.41,;-1.51,1.18,;-1.11,2.67,;.38,2.27,;1.71,3.04,;3.04,2.27,;4.38,3.04,;5.84,2.56,;6.75,3.81,;8.28,3.97,;8.9,5.38,;8,6.62,;6.47,6.46,;5.84,5.06,;4.38,4.58,;10.39,5.78,;11.48,4.69,;10.79,7.26,;11.88,6.18,;-.02,.78,)|
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...

US Patent US9446064 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28WH
More data for this
Ligand-Target Pair