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SMILES: Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl

InChI Key:

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 3 hits for monomerid = 50562994   
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))
BDBM50562994
PNG
(CHEMBL4740532)
Show SMILES Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(30.21,-10.38,;29.89,-11.89,;30.92,-13.04,;30.16,-14.37,;28.65,-14.05,;27.51,-15.09,;28.48,-12.52,;27.14,-11.76,;25.8,-12.53,;24.47,-11.76,;23.14,-12.52,;24.48,-10.22,;23.14,-9.45,;23.14,-7.92,;24.48,-7.16,;24.48,-5.61,;23.14,-4.84,;23.14,-3.29,;24.47,-2.52,;21.8,-2.53,;20.47,-3.3,;19.13,-2.53,;20.47,-4.84,;21.8,-5.62,;21.8,-7.16,;25.82,-7.91,;27.15,-7.14,;25.81,-9.45,;27.14,-10.22,;28.46,-9.45,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02112
BindingDB Entry DOI: 10.7270/Q23J3HPC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50562994
PNG
(CHEMBL4740532)
Show SMILES Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(30.21,-10.38,;29.89,-11.89,;30.92,-13.04,;30.16,-14.37,;28.65,-14.05,;27.51,-15.09,;28.48,-12.52,;27.14,-11.76,;25.8,-12.53,;24.47,-11.76,;23.14,-12.52,;24.48,-10.22,;23.14,-9.45,;23.14,-7.92,;24.48,-7.16,;24.48,-5.61,;23.14,-4.84,;23.14,-3.29,;24.47,-2.52,;21.8,-2.53,;20.47,-3.3,;19.13,-2.53,;20.47,-4.84,;21.8,-5.62,;21.8,-7.16,;25.82,-7.91,;27.15,-7.14,;25.81,-9.45,;27.14,-10.22,;28.46,-9.45,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 Y641N mutant (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02112
BindingDB Entry DOI: 10.7270/Q23J3HPC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50562994
PNG
(CHEMBL4740532)
Show SMILES Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(30.21,-10.38,;29.89,-11.89,;30.92,-13.04,;30.16,-14.37,;28.65,-14.05,;27.51,-15.09,;28.48,-12.52,;27.14,-11.76,;25.8,-12.53,;24.47,-11.76,;23.14,-12.52,;24.48,-10.22,;23.14,-9.45,;23.14,-7.92,;24.48,-7.16,;24.48,-5.61,;23.14,-4.84,;23.14,-3.29,;24.47,-2.52,;21.8,-2.53,;20.47,-3.3,;19.13,-2.53,;20.47,-4.84,;21.8,-5.62,;21.8,-7.16,;25.82,-7.91,;27.15,-7.14,;25.81,-9.45,;27.14,-10.22,;28.46,-9.45,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 in human KARPAS-422 cells assessed as effect on H3K27Me3 levels


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02112
BindingDB Entry DOI: 10.7270/Q23J3HPC
More data for this
Ligand-Target Pair