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BDBM310808 US10150764, Compound 94

SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(nn(C)c2OC)N2CCCCC2)c1C

InChI Key: InChIKey=VZKUNDADVRCTKR-YHBQERECSA-N

Data: 2 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 2 hits for monomerid = 310808   
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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM310808
PNG
(US10150764, Compound 94)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(nn(C)c2OC)N2CCCCC2)c1C
Show InChI InChI=1S/C29H45ClN6O2/c1-7-36(23-13-11-22(12-14-23)33(3)4)26-18-21(30)17-24(20(26)2)28(37)31-19-25-27(32-34(5)29(25)38-6)35-15-9-8-10-16-35/h17-18,22-23H,7-16,19H2,1-6H3,(H,31,37)/t22-,23-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US10150764 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MPR
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM310808
PNG
(US10150764, Compound 94)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(nn(C)c2OC)N2CCCCC2)c1C
Show InChI InChI=1S/C29H45ClN6O2/c1-7-36(23-13-11-22(12-14-23)33(3)4)26-18-21(30)17-24(20(26)2)28(37)31-19-25-27(32-34(5)29(25)38-6)35-15-9-8-10-16-35/h17-18,22-23H,7-16,19H2,1-6H3,(H,31,37)/t22-,23-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US10150764 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MPR
More data for this
Ligand-Target Pair