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SMILES: CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=QHNITKGBPYIHKK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205636   
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))
BDBM50205636
PNG
(CHEMBL3923183)
Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/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))
BDBM50205636
PNG
(CHEMBL3923183)
Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.65E+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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50205636
PNG
(CHEMBL3923183)
Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 448n/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