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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2' and Ligand = 'BDBM259397'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2


(Homo sapiens (Human))
BDBM259397
PNG
(US9505745, 74)
Show SMILES C\C=C(/CCCN1CCC(CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C27H40N4O2S/c1-7-21(9-8-12-31-13-10-22(11-14-31)30(5)6)25-20(4)24(17-34-25)26(32)28-16-23-18(2)15-19(3)29-27(23)33/h7,15,17,22H,8-14,16H2,1-6H3,(H,28,32)(H,29,33)/b21-7+
PDB

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PC cid
PC sid
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US Patent
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No. 2) Limited

US Patent


Assay Description
Protocol 2: Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Hu...


US Patent US9505745 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z3T
More data for this
Ligand-Target Pair