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SMILES: CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C

InChI Key: InChIKey=YEKNJJCHJWEGAP-UHFFFAOYSA-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 4 hits for monomerid = 190214   
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))
BDBM190214
PNG
(EPZ008994 | US9175331, 50)
Show SMILES CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-7-31(21-8-10-30(11-9-21)16(2)3)24-14-20(27)13-22(19(24)6)25(32)28-15-23-17(4)12-18(5)29-26(23)33/h12-14,16,21H,7-11,15H2,1-6H3,(H,28,32)(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 71.5n/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 [A687V]


(Homo sapiens (Human))
BDBM190214
PNG
(EPZ008994 | US9175331, 50)
Show SMILES CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-7-31(21-8-10-30(11-9-21)16(2)3)24-14-20(27)13-22(19(24)6)25(32)28-15-23-17(4)12-18(5)29-26(23)33/h12-14,16,21H,7-11,15H2,1-6H3,(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.5n/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))
BDBM190214
PNG
(EPZ008994 | US9175331, 50)
Show SMILES CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-7-31(21-8-10-30(11-9-21)16(2)3)24-14-20(27)13-22(19(24)6)25(32)28-15-23-17(4)12-18(5)29-26(23)33/h12-14,16,21H,7-11,15H2,1-6H3,(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12.1n/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))
BDBM190214
PNG
(EPZ008994 | US9175331, 50)
Show SMILES CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-7-31(21-8-10-30(11-9-21)16(2)3)24-14-20(27)13-22(19(24)6)25(32)28-15-23-17(4)12-18(5)29-26(23)33/h12-14,16,21H,7-11,15H2,1-6H3,(H,28,32)(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27.5n/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