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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50205627   
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))
BDBM50205627
PNG
(CHEMBL3914517)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C36H42N6O3/c1-22-16-24(3)40-36(44)30(22)19-39-35(43)29-17-25(18-32-33(29)23(2)21-42(32)26-8-14-45-15-9-26)31-20-38-34(41-12-10-37-11-13-41)28-7-5-4-6-27(28)31/h4-7,16-18,20,23,26,37H,8-15,19,21H2,1-3H3,(H,39,43)(H,40,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50205627
PNG
(CHEMBL3914517)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C36H42N6O3/c1-22-16-24(3)40-36(44)30(22)19-39-35(43)29-17-25(18-32-33(29)23(2)21-42(32)26-8-14-45-15-9-26)31-20-38-34(41-12-10-37-11-13-41)28-7-5-4-6-27(28)31/h4-7,16-18,20,23,26,37H,8-15,19,21H2,1-3H3,(H,39,43)(H,40,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1


(Homo sapiens (Human))
BDBM50205627
PNG
(CHEMBL3914517)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C36H42N6O3/c1-22-16-24(3)40-36(44)30(22)19-39-35(43)29-17-25(18-32-33(29)23(2)21-42(32)26-8-14-45-15-9-26)31-20-38-34(41-12-10-37-11-13-41)28-7-5-4-6-27(28)31/h4-7,16-18,20,23,26,37H,8-15,19,21H2,1-3H3,(H,39,43)(H,40,44)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair