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BDBM244796 US9446064, A87

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

InChI Key:

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244796   
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))		BDBM244796
PNG
(US9446064, A87)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 |r,wU:7.12,5.4,wD:22.24,24.27,8.8,10.11,(3.3,6.13,;1.81,6.53,;1.41,8.02,;.48,5.76,;-.86,6.53,;-2.19,5.76,;-2.19,4.22,;-3.66,3.75,;-4.56,4.99,;-6.1,4.99,;-3.66,6.24,;-4.43,7.57,;-4.43,2.41,;-3.52,1.17,;-4.43,-.08,;-5.89,.4,;-7.22,-.37,;-7.22,-1.91,;-8.56,.4,;-8.56,1.94,;-7.22,2.71,;-5.89,1.94,;.88,4.27,;2.21,3.5,;1.44,2.17,;1.84,.68,;3.32,.28,;3.72,-1.2,;4.97,-2.11,;4.49,-3.57,;5.26,-4.91,;4.49,-6.24,;5.58,-7.33,;7.07,-6.93,;8.16,-8.02,;7.47,-5.44,;8.56,-6.53,;2.95,-6.24,;2.18,-4.91,;2.95,-3.57,;2.48,-2.11,;.11,2.94,)|
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/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