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BDBM190197 EPZ008278::US9175331, 26

SMILES: CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

InChI Key: InChIKey=OCWAKUTWRJNZGR-UHFFFAOYSA-N

Data: 4 IC50

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 = 190197   
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))
BDBM190197
PNG
(EPZ008278 | US9175331, 26)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H36N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,17-18,31H,8-11,16H2,1-5H3,(H,33,37)(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38.4n/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
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190197
PNG
(EPZ008278 | US9175331, 26)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H36N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,17-18,31H,8-11,16H2,1-5H3,(H,33,37)(H,34,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19.1n/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 (A677G)


(Homo sapiens (Human))
BDBM190197
PNG
(EPZ008278 | US9175331, 26)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H36N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,17-18,31H,8-11,16H2,1-5H3,(H,33,37)(H,34,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.30n/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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190197
PNG
(EPZ008278 | US9175331, 26)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H36N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,17-18,31H,8-11,16H2,1-5H3,(H,33,37)(H,34,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10.6n/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