BindingDB logo
myBDB logout

BDBM310763 US10150764, Compound 48

SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)nn3c(C)cc(C)nc23)c1C

InChI Key: InChIKey=NBCQRUGRENQGDP-HZCBDIJESA-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 = 310763   
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))
BDBM310763
PNG
(US10150764, Compound 48)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)nn3c(C)cc(C)nc23)c1C
Show InChI InChI=1S/C28H39ClN6O2/c1-8-34(22-11-9-21(10-12-22)33(5)6)25-15-20(29)14-23(19(25)4)27(36)30-16-24-26-31-17(2)13-18(3)35(26)32-28(24)37-7/h13-15,21-22H,8-12,16H2,1-7H3,(H,30,36)/t21-,22-
PDB
MMDB

KEGG

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))
BDBM310763
PNG
(US10150764, Compound 48)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)nn3c(C)cc(C)nc23)c1C
Show InChI InChI=1S/C28H39ClN6O2/c1-8-34(22-11-9-21(10-12-22)33(5)6)25-15-20(29)14-23(19(25)4)27(36)30-16-24-26-31-17(2)13-18(3)35(26)32-28(24)37-7/h13-15,21-22H,8-12,16H2,1-7H3,(H,30,36)/t21-,22-
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