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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Enhancer of zeste homolog 1 (EZH1)' AND taxid = 9606   
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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205635
PNG
(CHEMBL3898133)
Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C32H40N6O2/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-8-9-29(34-17-23)37-12-10-33-11-13-37)16-28-30(26)21(2)19-38(28)25-6-4-5-7-25/h8-9,14-17,21,25,33H,4-7,10-13,18-19H2,1-3H3,(H,35,39)(H,36,40)
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UniChem
Article
PubMed
n/an/a 1.35E+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
Enhancer of zeste homolog 1 (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)
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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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205632
PNG
(CHEMBL3901570)
Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C30H38N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,18,20,31H,8-11,16-17H2,1-5H3,(H,33,37)(H,34,38)
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PC sid
UniChem
Article
PubMed
n/an/a 1.87E+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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205626
PNG
(CHEMBL3900506)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)
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Article
PubMed
n/an/a 1.98E+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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50063670
PNG
(CHEMBL3397332)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C24H29N9O4S/c25-15(23(36)27-9-14-8-16(32-31-14)13-4-2-1-3-5-13)6-7-38-10-17-19(34)20(35)24(37-17)33-12-30-18-21(26)28-11-29-22(18)33/h1-5,8,11-12,15,17,19-20,24,34-35H,6-7,9-10,25H2,(H,27,36)(H,31,32)(H2,26,28,29)/t15-,17+,19+,20+,24+/m0/s1
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH1 (unknown origin) by HMT assay


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Enhancer of zeste homolog 1 (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)
UniProtKB/SwissProt

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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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205629
PNG
(CHEMBL3905192)
Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)
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Article
PubMed
n/an/a 2.71E+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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205639
PNG
(CHEMBL3892623)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 3.34E+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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205634
PNG
(CHEMBL3933203)
Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)C#N
Show InChI InChI=1S/C24H28N4O2/c1-14-8-16(3)27-24(30)20(14)12-26-23(29)19-9-17(11-25)10-21-22(19)15(2)13-28(21)18-6-4-5-7-18/h8-10,15,18H,4-7,12-13H2,1-3H3,(H,26,29)(H,27,30)
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Article
PubMed
n/an/a 4.44E+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
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH1 (unknown origin) by HMT assay


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Enhancer of zeste homolog 1 (EZH1)


(Homo sapiens (Human))
BDBM50205628
PNG
(CHEMBL3906288)
Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)C#N
Show InChI InChI=1S/C22H26N4O2/c1-12(2)26-11-14(4)20-17(7-16(9-23)8-19(20)26)21(27)24-10-18-13(3)6-15(5)25-22(18)28/h6-8,12,14H,10-11H2,1-5H3,(H,24,27)(H,25,28)
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Article
PubMed
n/an/a 7.75E+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