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SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(C)C

InChI Key:

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 4 hits for monomerid = 190195   
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 EZH2


(Homo sapiens (Human))
BDBM190195
PNG
(EPZ007790 | US9175331, 23)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(C)C |r,wU:3.2,wD:6.9,(-5.33,3.85,;-5.33,2.31,;-4,1.54,;-4,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-5.33,-.77,;-4,-4.62,;-2.67,-5.39,;-5.33,-5.39,;-2.67,2.31,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;1.33,1.54,;2.67,2.31,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;4,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-4.62,;1.33,-3.08,;,-2.31,;-1.33,1.54,;-1.33,,;-1.33,6.16,;-2.67,6.93,;,6.93,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16.9n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [A687V]


(Homo sapiens (Human))
BDBM190195
PNG
(EPZ007790 | US9175331, 23)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(C)C |r,wU:3.2,wD:6.9,(-5.33,3.85,;-5.33,2.31,;-4,1.54,;-4,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-5.33,-.77,;-4,-4.62,;-2.67,-5.39,;-5.33,-5.39,;-2.67,2.31,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;1.33,1.54,;2.67,2.31,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;4,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-4.62,;1.33,-3.08,;,-2.31,;-1.33,1.54,;-1.33,,;-1.33,6.16,;-2.67,6.93,;,6.93,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.5n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [A677G]


(Homo sapiens (Human))
BDBM190195
PNG
(EPZ007790 | US9175331, 23)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(C)C |r,wU:3.2,wD:6.9,(-5.33,3.85,;-5.33,2.31,;-4,1.54,;-4,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-5.33,-.77,;-4,-4.62,;-2.67,-5.39,;-5.33,-5.39,;-2.67,2.31,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;1.33,1.54,;2.67,2.31,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;4,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-4.62,;1.33,-3.08,;,-2.31,;-1.33,1.54,;-1.33,,;-1.33,6.16,;-2.67,6.93,;,6.93,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.30n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [Y641F]


(Homo sapiens (Human))
BDBM190195
PNG
(EPZ007790 | US9175331, 23)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(C)C |r,wU:3.2,wD:6.9,(-5.33,3.85,;-5.33,2.31,;-4,1.54,;-4,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-5.33,-.77,;-4,-4.62,;-2.67,-5.39,;-5.33,-5.39,;-2.67,2.31,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;1.33,1.54,;2.67,2.31,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;4,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-4.62,;1.33,-3.08,;,-2.31,;-1.33,1.54,;-1.33,,;-1.33,6.16,;-2.67,6.93,;,6.93,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15.8n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair