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SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C

InChI Key: InChIKey=COKYRVNIWHYRPM-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 = 190224   
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))
BDBM190224
PNG
(EPZ009162 | US9175331, 62)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-6-8-19-13-17(3)29-26(33)23(19)16-28-25(32)22-14-20(27)15-24(18(22)4)31(7-2)21-9-11-30(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(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 65.7n/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 [A687V]


(Homo sapiens (Human))
BDBM190224
PNG
(EPZ009162 | US9175331, 62)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-6-8-19-13-17(3)29-26(33)23(19)16-28-25(32)22-14-20(27)15-24(18(22)4)31(7-2)21-9-11-30(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17.8n/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
Histone-lysine N-methyltransferase EZH2 [A677G]


(Homo sapiens (Human))
BDBM190224
PNG
(EPZ009162 | US9175331, 62)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-6-8-19-13-17(3)29-26(33)23(19)16-28-25(32)22-14-20(27)15-24(18(22)4)31(7-2)21-9-11-30(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14.6n/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))
BDBM190224
PNG
(EPZ009162 | US9175331, 62)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-6-8-19-13-17(3)29-26(33)23(19)16-28-25(32)22-14-20(27)15-24(18(22)4)31(7-2)21-9-11-30(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(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 35.1n/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