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SMILES: CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1

InChI Key: InChIKey=MLBGVPOJNQFCOJ-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 = 190182   
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))
BDBM190182
PNG
(EPZ006089 | US9175331, 8)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1 |t:30|
Show InChI InChI=1S/C31H44N4O2/c1-19-13-20(2)33-29(37)26(19)18-32-28(36)25-14-22(23-16-30(4,5)34-31(6,7)17-23)15-27(21(25)3)35(8)24-11-9-10-12-24/h13-16,24,34H,9-12,17-18H2,1-8H3,(H,32,36)(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/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))
BDBM190182
PNG
(EPZ006089 | US9175331, 8)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1 |t:30|
Show InChI InChI=1S/C31H44N4O2/c1-19-13-20(2)33-29(37)26(19)18-32-28(36)25-14-22(23-16-30(4,5)34-31(6,7)17-23)15-27(21(25)3)35(8)24-11-9-10-12-24/h13-16,24,34H,9-12,17-18H2,1-8H3,(H,32,36)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27.7n/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))
BDBM190182
PNG
(EPZ006089 | US9175331, 8)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1 |t:30|
Show InChI InChI=1S/C31H44N4O2/c1-19-13-20(2)33-29(37)26(19)18-32-28(36)25-14-22(23-16-30(4,5)34-31(6,7)17-23)15-27(21(25)3)35(8)24-11-9-10-12-24/h13-16,24,34H,9-12,17-18H2,1-8H3,(H,32,36)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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))
BDBM190182
PNG
(EPZ006089 | US9175331, 8)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1 |t:30|
Show InChI InChI=1S/C31H44N4O2/c1-19-13-20(2)33-29(37)26(19)18-32-28(36)25-14-22(23-16-30(4,5)34-31(6,7)17-23)15-27(21(25)3)35(8)24-11-9-10-12-24/h13-16,24,34H,9-12,17-18H2,1-8H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 311n/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