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PubMed code 25699155

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))		BDBM50061976
PNG
(CHEMBL3394320)
Show SMILES CCN(C1CCNCC1)c1cccc2c1C\C=C\CCc1cc(C)[nH]c(=O)c1CNC2=O |t:18|
Show InChI InChI=1S/C26H34N4O2/c1-3-30(20-12-14-27-15-13-20)24-11-7-10-22-21(24)9-6-4-5-8-19-16-18(2)29-26(32)23(19)17-28-25(22)31/h4,6-7,10-11,16,20,27H,3,5,8-9,12-15,17H2,1-2H3,(H,28,31)(H,29,32)/b6-4+
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n/an/a 13n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061978
PNG
(CHEMBL3394231)
Show SMILES CCN(C1CCOCC1)c1cccc2c1CCCCCCc1cc(C)[nH]c(=O)c1CNC2=O
Show InChI InChI=1S/C27H37N3O3/c1-3-30(21-13-15-33-16-14-21)25-12-8-11-23-22(25)10-7-5-4-6-9-20-17-19(2)29-27(32)24(20)18-28-26(23)31/h8,11-12,17,21H,3-7,9-10,13-16,18H2,1-2H3,(H,28,31)(H,29,32)
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n/an/a 25n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061975
PNG
(CHEMBL3394229)
Show SMILES Cc1cc2CC\C=C\Cc3c(O[C@H]4CC[C@H](N)CC4)cc(Cl)cc3C(=O)NCc2c(=O)[nH]1 |r,wU:12.11,wD:15.15,t:6,(6.34,-.86,;5.12,-.66,;4.14,-1.85,;2.63,-1.6,;1.78,-2.88,;.28,-3.15,;-.93,-2.21,;-.84,-.68,;-2.18,.02,;-2.72,1.46,;-4.26,1.53,;-5.09,.23,;-6.63,.31,;-7.46,-.99,;-9,-.91,;-9.7,.46,;-10.93,.52,;-8.87,1.75,;-7.33,1.68,;-4.97,2.9,;-4.14,4.19,;-4.7,5.29,;-2.6,4.13,;-1.89,2.76,;-.34,2.93,;.08,4.09,;.77,1.82,;.59,.29,;2.08,-.15,;3.06,1.04,;2.63,2.19,;4.58,.78,)|
Show InChI InChI=1S/C25H30ClN3O3/c1-15-11-16-5-3-2-4-6-20-21(24(30)28-14-22(16)25(31)29-15)12-17(26)13-23(20)32-19-9-7-18(27)8-10-19/h2,4,11-13,18-19H,3,5-10,14,27H2,1H3,(H,28,30)(H,29,31)/b4-2+/t18-,19-
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n/an/a 32n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061979
PNG
(CHEMBL3394230)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Oc1cc(Cl)cc2c1C\C=C\CCCc1cc(C)[nH]c(=O)c1CNC2=O |r,wU:6.9,wD:3.2,t:20,(-10.79,-6.94,;-9.75,-7.55,;-9.76,-8.76,;-8.44,-6.81,;-7.14,-7.56,;-5.83,-6.81,;-5.82,-5.31,;-7.13,-4.55,;-8.44,-5.3,;-4.52,-4.55,;-4.51,-3.05,;-5.85,-2.26,;-5.85,-.72,;-6.89,-.12,;-4.51,.04,;-3.18,-.72,;-3.18,-2.26,;-1.83,-3.05,;-.46,-2.25,;.86,-3.03,;2.2,-2.25,;2.2,-.71,;3.56,.07,;3.56,1.61,;4.91,2.38,;4.91,3.93,;5.95,4.54,;3.56,4.7,;2.22,3.93,;1.18,4.53,;2.22,2.38,;.86,1.6,;.12,-.35,;-1.81,.05,;-2,1.24,)|
Show InChI InChI=1S/C28H36ClN3O3/c1-18-14-19-8-6-4-5-7-9-23-24(27(33)30-17-25(19)28(34)31-18)15-20(29)16-26(23)35-22-12-10-21(11-13-22)32(2)3/h5,7,14-16,21-22H,4,6,8-13,17H2,1-3H3,(H,30,33)(H,31,34)/b7-5+/t21-,22-
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n/an/a 63n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061975
PNG
(CHEMBL3394229)
Show SMILES Cc1cc2CC\C=C\Cc3c(O[C@H]4CC[C@H](N)CC4)cc(Cl)cc3C(=O)NCc2c(=O)[nH]1 |r,wU:12.11,wD:15.15,t:6,(6.34,-.86,;5.12,-.66,;4.14,-1.85,;2.63,-1.6,;1.78,-2.88,;.28,-3.15,;-.93,-2.21,;-.84,-.68,;-2.18,.02,;-2.72,1.46,;-4.26,1.53,;-5.09,.23,;-6.63,.31,;-7.46,-.99,;-9,-.91,;-9.7,.46,;-10.93,.52,;-8.87,1.75,;-7.33,1.68,;-4.97,2.9,;-4.14,4.19,;-4.7,5.29,;-2.6,4.13,;-1.89,2.76,;-.34,2.93,;.08,4.09,;.77,1.82,;.59,.29,;2.08,-.15,;3.06,1.04,;2.63,2.19,;4.58,.78,)|
Show InChI InChI=1S/C25H30ClN3O3/c1-15-11-16-5-3-2-4-6-20-21(24(30)28-14-22(16)25(31)29-15)12-17(26)13-23(20)32-19-9-7-18(27)8-10-19/h2,4,11-13,18-19H,3,5-10,14,27H2,1H3,(H,28,30)(H,29,31)/b4-2+/t18-,19-
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n/an/a 100n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061976
PNG
(CHEMBL3394320)
Show SMILES CCN(C1CCNCC1)c1cccc2c1C\C=C\CCc1cc(C)[nH]c(=O)c1CNC2=O |t:18|
Show InChI InChI=1S/C26H34N4O2/c1-3-30(20-12-14-27-15-13-20)24-11-7-10-22-21(24)9-6-4-5-8-19-16-18(2)29-26(32)23(19)17-28-25(22)31/h4,6-7,10-11,16,20,27H,3,5,8-9,12-15,17H2,1-2H3,(H,28,31)(H,29,32)/b6-4+
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PubMed
n/an/a 200n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061979
PNG
(CHEMBL3394230)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Oc1cc(Cl)cc2c1C\C=C\CCCc1cc(C)[nH]c(=O)c1CNC2=O |r,wU:6.9,wD:3.2,t:20,(-10.79,-6.94,;-9.75,-7.55,;-9.76,-8.76,;-8.44,-6.81,;-7.14,-7.56,;-5.83,-6.81,;-5.82,-5.31,;-7.13,-4.55,;-8.44,-5.3,;-4.52,-4.55,;-4.51,-3.05,;-5.85,-2.26,;-5.85,-.72,;-6.89,-.12,;-4.51,.04,;-3.18,-.72,;-3.18,-2.26,;-1.83,-3.05,;-.46,-2.25,;.86,-3.03,;2.2,-2.25,;2.2,-.71,;3.56,.07,;3.56,1.61,;4.91,2.38,;4.91,3.93,;5.95,4.54,;3.56,4.7,;2.22,3.93,;1.18,4.53,;2.22,2.38,;.86,1.6,;.12,-.35,;-1.81,.05,;-2,1.24,)|
Show InChI InChI=1S/C28H36ClN3O3/c1-18-14-19-8-6-4-5-7-9-23-24(27(33)30-17-25(19)28(34)31-18)15-20(29)16-26(23)35-22-12-10-21(11-13-22)32(2)3/h5,7,14-16,21-22H,4,6,8-13,17H2,1-3H3,(H,30,33)(H,31,34)/b7-5+/t21-,22-
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n/an/a 251n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50061978
PNG
(CHEMBL3394231)
Show SMILES CCN(C1CCOCC1)c1cccc2c1CCCCCCc1cc(C)[nH]c(=O)c1CNC2=O
Show InChI InChI=1S/C27H37N3O3/c1-3-30(21-13-15-33-16-14-21)25-12-8-11-23-22(25)10-7-5-4-6-9-20-17-19(2)29-27(32)24(20)18-28-26(23)31/h8,11-12,17,21H,3-7,9-10,13-16,18H2,1-2H3,(H,28,31)(H,29,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from...

ACS Med Chem Lett 6: 108-9 (2015)


Article DOI: 10.1021/ml5005377
BindingDB Entry DOI: 10.7270/Q27W6DV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%