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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50075072'   
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-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50075072
PNG
(CHEMBL3414620)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CCCCc2cn(CCN3C(=O)N(CC)C(=O)\C(=C\C=C\C=C4\N(CCC(=O)OCOC(C)=O)c5ccc(cc5C4(C)C)C(=O)OCOC(C)=O)C3=O)nn2)CC1
Show InChI InChI=1S/C68H81N13O13/c1-10-16-47-33-44(5)72-63(86)54(47)38-70-62(85)53-34-50(36-58-55(53)39-71-81(58)43(3)4)49-21-23-60(69-37-49)76-29-27-75(28-30-76)25-15-14-17-51-40-77(74-73-51)31-32-80-65(88)52(64(87)78(11-2)67(80)90)18-12-13-19-59-68(8,9)56-35-48(66(89)94-42-92-46(7)83)20-22-57(56)79(59)26-24-61(84)93-41-91-45(6)82/h12-13,18-23,33-37,39-40,43H,10-11,14-17,24-32,38,41-42H2,1-9H3,(H,70,85)(H,72,86)/b13-12+,52-18-,59-19+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated-histone H3 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [...


J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
More data for this
Ligand-Target Pair