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SMILES: CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C

InChI Key: InChIKey=MGZOOCDTTGHJQB-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 = 190212   
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))
BDBM190212
PNG
(EPZ008991 | US9175331, 48)
Show SMILES CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H36ClN3O2/c1-7-30(20-8-10-26(5,6)11-9-20)23-14-19(27)13-21(18(23)4)24(31)28-15-22-16(2)12-17(3)29-25(22)32/h12-14,20H,7-11,15H2,1-6H3,(H,28,31)(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34.8n/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 [A687V]


(Homo sapiens (Human))
BDBM190212
PNG
(EPZ008991 | US9175331, 48)
Show SMILES CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H36ClN3O2/c1-7-30(20-8-10-26(5,6)11-9-20)23-14-19(27)13-21(18(23)4)24(31)28-15-22-16(2)12-17(3)29-25(22)32/h12-14,20H,7-11,15H2,1-6H3,(H,28,31)(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19.3n/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))
BDBM190212
PNG
(EPZ008991 | US9175331, 48)
Show SMILES CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H36ClN3O2/c1-7-30(20-8-10-26(5,6)11-9-20)23-14-19(27)13-21(18(23)4)24(31)28-15-22-16(2)12-17(3)29-25(22)32/h12-14,20H,7-11,15H2,1-6H3,(H,28,31)(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.40n/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))
BDBM190212
PNG
(EPZ008991 | US9175331, 48)
Show SMILES CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H36ClN3O2/c1-7-30(20-8-10-26(5,6)11-9-20)23-14-19(27)13-21(18(23)4)24(31)28-15-22-16(2)12-17(3)29-25(22)32/h12-14,20H,7-11,15H2,1-6H3,(H,28,31)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29.3n/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