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SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C

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 = 190189   
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))
BDBM190189
PNG
(EPZ007478 | US9175331, 17)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-6.67,.32,;-5.33,-.45,;-4,.32,;-2.67,-.45,;-1.33,.32,;,-.45,;,-1.99,;-1.33,-2.76,;-2.67,-1.99,;1.33,-2.76,;2.67,-1.99,;1.33,-4.3,;.24,-5.39,;1.33,-6.48,;2.42,-5.39,;-4,1.86,;-5.33,2.63,;-5.33,4.17,;-6.67,4.94,;-4,4.94,;-2.67,4.17,;-1.33,4.94,;-1.33,6.48,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;5.33,4.17,;5.33,2.63,;6.67,1.86,;4,1.86,;2.67,2.63,;1.33,1.86,;-2.67,2.63,;-1.33,1.86,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.80n/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))
BDBM190189
PNG
(EPZ007478 | US9175331, 17)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-6.67,.32,;-5.33,-.45,;-4,.32,;-2.67,-.45,;-1.33,.32,;,-.45,;,-1.99,;-1.33,-2.76,;-2.67,-1.99,;1.33,-2.76,;2.67,-1.99,;1.33,-4.3,;.24,-5.39,;1.33,-6.48,;2.42,-5.39,;-4,1.86,;-5.33,2.63,;-5.33,4.17,;-6.67,4.94,;-4,4.94,;-2.67,4.17,;-1.33,4.94,;-1.33,6.48,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;5.33,4.17,;5.33,2.63,;6.67,1.86,;4,1.86,;2.67,2.63,;1.33,1.86,;-2.67,2.63,;-1.33,1.86,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.10n/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))
BDBM190189
PNG
(EPZ007478 | US9175331, 17)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-6.67,.32,;-5.33,-.45,;-4,.32,;-2.67,-.45,;-1.33,.32,;,-.45,;,-1.99,;-1.33,-2.76,;-2.67,-1.99,;1.33,-2.76,;2.67,-1.99,;1.33,-4.3,;.24,-5.39,;1.33,-6.48,;2.42,-5.39,;-4,1.86,;-5.33,2.63,;-5.33,4.17,;-6.67,4.94,;-4,4.94,;-2.67,4.17,;-1.33,4.94,;-1.33,6.48,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;5.33,4.17,;5.33,2.63,;6.67,1.86,;4,1.86,;2.67,2.63,;1.33,1.86,;-2.67,2.63,;-1.33,1.86,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.20n/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))
BDBM190189
PNG
(EPZ007478 | US9175331, 17)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-6.67,.32,;-5.33,-.45,;-4,.32,;-2.67,-.45,;-1.33,.32,;,-.45,;,-1.99,;-1.33,-2.76,;-2.67,-1.99,;1.33,-2.76,;2.67,-1.99,;1.33,-4.3,;.24,-5.39,;1.33,-6.48,;2.42,-5.39,;-4,1.86,;-5.33,2.63,;-5.33,4.17,;-6.67,4.94,;-4,4.94,;-2.67,4.17,;-1.33,4.94,;-1.33,6.48,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;5.33,4.17,;5.33,2.63,;6.67,1.86,;4,1.86,;2.67,2.63,;1.33,1.86,;-2.67,2.63,;-1.33,1.86,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.4n/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