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BDBM310802 US10150764, Compound 88

SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)n(C)nc2C(F)(F)F)c1C

InChI Key: InChIKey=GHPLWUXWFIUQCI-IYARVYRRSA-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 = 310802   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EZH2(Y641F)


(Homo sapiens (Human))
BDBM310802
PNG
(US10150764, Compound 88)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)n(C)nc2C(F)(F)F)c1C
Show InChI InChI=1S/C25H35ClF3N5O2/c1-7-34(18-10-8-17(9-11-18)32(3)4)21-13-16(26)12-19(15(21)2)23(35)30-14-20-22(25(27,28)29)31-33(5)24(20)36-6/h12-13,17-18H,7-11,14H2,1-6H3,(H,30,35)/t17-,18-
PDB
MMDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.64E+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))
BDBM310802
PNG
(US10150764, Compound 88)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)n(C)nc2C(F)(F)F)c1C
Show InChI InChI=1S/C25H35ClF3N5O2/c1-7-34(18-10-8-17(9-11-18)32(3)4)21-13-16(26)12-19(15(21)2)23(35)30-14-20-22(25(27,28)29)31-33(5)24(20)36-6/h12-13,17-18H,7-11,14H2,1-6H3,(H,30,35)/t17-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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