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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'koga' and Initial = 'r'   
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
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))		BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Binding affinity to human ERRgamma

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 62n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Binding affinity to human ERRgamma

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 80n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261553
PNG
(CHEMBL4087989)
Show SMILES Cl.Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
Show InChI InChI=1S/C23H15NO/c25-18-11-10-16-14-22-20(13-17(16)12-18)23(15-6-2-1-3-7-15)19-8-4-5-9-21(19)24-22/h1-14,25H
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n/an/a 154n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261553
PNG
(CHEMBL4087989)
Show SMILES Cl.Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
Show InChI InChI=1S/C23H15NO/c25-18-11-10-16-14-22-20(13-17(16)12-18)23(15-6-2-1-3-7-15)19-8-4-5-9-21(19)24-22/h1-14,25H
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n/an/a 169n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50148781
PNG
(CHEMBL3770903)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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n/an/a 210n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 226n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261555
PNG
(CHEMBL4088694)
Show SMILES Cl.Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
Show InChI InChI=1S/C23H15NO/c25-18-10-11-19-22(14-18)24-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14,25H
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n/an/a 294n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261555
PNG
(CHEMBL4088694)
Show SMILES Cl.Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
Show InChI InChI=1S/C23H15NO/c25-18-10-11-19-22(14-18)24-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14,25H
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n/an/a 306n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 341n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261551
PNG
(CHEMBL4094003)
Show SMILES Cl.c1ccc(cc1)-c1c2ccccc2nc2cc3ccccc3cc12
Show InChI InChI=1S/C23H15N/c1-2-8-16(9-3-1)23-19-12-6-7-13-21(19)24-22-15-18-11-5-4-10-17(18)14-20(22)23/h1-15H
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n/an/a 915n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261554
PNG
(CHEMBL4092300)
Show SMILES Cl.Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
Show InChI InChI=1S/C23H15NO/c25-21-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-20(19)24-23(18)21/h1-14,25H
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n/an/a 939n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261554
PNG
(CHEMBL4092300)
Show SMILES Cl.Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
Show InChI InChI=1S/C23H15NO/c25-21-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-20(19)24-23(18)21/h1-14,25H
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n/an/a 1.08E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523795
PNG
(CHEMBL4551537)
Show SMILES CCN(CC)c1ccnc(CN[C@@H](Cc2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)c1 |r|
Show InChI InChI=1S/C36H39N5O2/c1-4-40(5-2)33-21-22-37-31(23-33)25-38-34(35(42)43-3)24-32-26-41(27-39-32)36(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-23,26-27,34,38H,4-5,24-25H2,1-3H3/t34-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 1.53E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERbeta (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene ...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261556
PNG
(CHEMBL4105062)
Show SMILES Cl.Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
Show InChI InChI=1S/C23H14ClN/c24-18-10-11-19-22(14-18)25-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14H
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n/an/a 1.65E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261557
PNG
(CHEMBL4071813)
Show SMILES Cl.Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12
Show InChI InChI=1S/C23H14ClN/c24-22-17-11-5-4-10-16(17)14-19-21(15-8-2-1-3-9-15)18-12-6-7-13-20(18)25-23(19)22/h1-14H
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n/an/a 1.68E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261551
PNG
(CHEMBL4094003)
Show SMILES Cl.c1ccc(cc1)-c1c2ccccc2nc2cc3ccccc3cc12
Show InChI InChI=1S/C23H15N/c1-2-8-16(9-3-1)23-19-12-6-7-13-21(19)24-22-15-18-11-5-4-10-17(18)14-20(22)23/h1-15H
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n/an/a 1.69E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523787
PNG
(CHEMBL4464347)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C |r|
Show InChI InChI=1S/C34H35N5O2/c1-38(2)31-19-20-35-29(21-31)23-36-32(33(40)41-3)22-30-24-39(25-37-30)34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-21,24-25,32,36H,22-23H2,1-3H3/t32-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523787
PNG
(CHEMBL4464347)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C |r|
Show InChI InChI=1S/C34H35N5O2/c1-38(2)31-19-20-35-29(21-31)23-36-32(33(40)41-3)22-30-24-39(25-37-30)34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-21,24-25,32,36H,22-23H2,1-3H3/t32-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using RHKK(Ac)-MCA as substrate measured after 60 mins by fluorescence assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261556
PNG
(CHEMBL4105062)
Show SMILES Cl.Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
Show InChI InChI=1S/C23H14ClN/c24-18-10-11-19-22(14-18)25-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14H
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n/an/a 1.98E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523797
PNG
(CHEMBL4522115)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C36H32N4O2/c1-42-35(41)34(37-24-31-22-21-27-13-11-12-20-33(27)39-31)23-32-25-40(26-38-32)36(28-14-5-2-6-15-28,29-16-7-3-8-17-29)30-18-9-4-10-19-30/h2-22,25-26,34,37H,23-24H2,1H3/t34-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50261557
PNG
(CHEMBL4071813)
Show SMILES Cl.Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12
Show InChI InChI=1S/C23H14ClN/c24-22-17-11-5-4-10-16(17)14-19-21(15-8-2-1-3-9-15)18-12-6-7-13-20(18)25-23(19)22/h1-14H
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n/an/a 2.53E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261558
PNG
(CHEMBL4071506)
Show SMILES Cl.FC(F)(F)c1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
Show InChI InChI=1S/C24H14F3N/c25-24(26,27)20-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-21(19)28-23(18)20/h1-14H
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n/an/a 2.65E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523789
PNG
(CHEMBL4562248)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C36H32N4O2/c1-42-35(41)34(38-24-27-21-28-13-11-12-20-33(28)37-23-27)22-32-25-40(26-39-32)36(29-14-5-2-6-15-29,30-16-7-3-8-17-30)31-18-9-4-10-19-31/h2-21,23,25-26,34,38H,22,24H2,1H3/t34-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261552
PNG
(CHEMBL4066690)
Show SMILES Cl.FC(F)(F)c1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
Show InChI InChI=1S/C24H14F3N/c25-24(26,27)18-11-10-16-14-22-20(13-17(16)12-18)23(15-6-2-1-3-7-15)19-8-4-5-9-21(19)28-22/h1-14H
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n/an/a 3.51E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261552
PNG
(CHEMBL4066690)
Show SMILES Cl.FC(F)(F)c1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
Show InChI InChI=1S/C24H14F3N/c25-24(26,27)18-11-10-16-14-22-20(13-17(16)12-18)23(15-6-2-1-3-7-15)19-8-4-5-9-21(19)28-22/h1-14H
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n/an/a 5.34E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523802
PNG
(CHEMBL3604372)
Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)NCc1cc(cc(CN[C@@H](Cc2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)n1)N(C)C |r|
Show InChI InChI=1S/C42H46N8O4/c1-49(2)37-20-34(25-44-38(40(51)53-3)22-33-24-43-28-46-33)48-35(21-37)26-45-39(41(52)54-4)23-36-27-50(29-47-36)42(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-21,24,27-29,38-39,44-45H,22-23,25-26H2,1-4H3,(H,43,46)/t38-,39-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using RHKK(Ac)-MCA as substrate measured after 60 mins by fluorescence assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523794
PNG
(CHEMBL4563921)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cccc(c1)N(C)C |r|
Show InChI InChI=1S/C35H36N4O2/c1-38(2)32-21-13-14-27(22-32)24-36-33(34(40)41-3)23-31-25-39(26-37-31)35(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-22,25-26,33,36H,23-24H2,1-3H3/t33-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523790
PNG
(CHEMBL4456341)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccc(Br)nc1 |r|
Show InChI InChI=1S/C32H29BrN4O2/c1-39-31(38)29(34-20-24-17-18-30(33)35-21-24)19-28-22-37(23-36-28)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21-23,29,34H,19-20H2,1H3/t29-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523800
PNG
(CHEMBL4527063)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccncc1Br |r|
Show InChI InChI=1S/C32H29BrN4O2/c1-39-31(38)30(35-20-24-17-18-34-21-29(24)33)19-28-22-37(23-36-28)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21-23,30,35H,19-20H2,1H3/t30-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553465
PNG
(CHEMBL4779549)
Show SMILES CN(C)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523786
PNG
(CHEMBL4449841)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cccc(Br)n1 |r|
Show InChI InChI=1S/C32H29BrN4O2/c1-39-31(38)29(34-21-27-18-11-19-30(33)36-27)20-28-22-37(23-35-28)32(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-19,22-23,29,34H,20-21H2,1H3/t29-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553470
PNG
(CHEMBL4749343)
Show SMILES CCN(CC)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523798
PNG
(CHEMBL3604373)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(cc(CN[C@@H](Cc2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)n1)N(C)C |r|
Show InChI InChI=1S/C61H60N8O4/c1-67(2)55-35-51(39-62-56(58(70)72-3)37-53-41-68(43-64-53)60(45-23-11-5-12-24-45,46-25-13-6-14-26-46)47-27-15-7-16-28-47)66-52(36-55)40-63-57(59(71)73-4)38-54-42-69(44-65-54)61(48-29-17-8-18-30-48,49-31-19-9-20-32-49)50-33-21-10-22-34-50/h5-36,41-44,56-57,62-63H,37-40H2,1-4H3/t56-,57-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using RHKK(Ac)-MCA as substrate measured after 60 mins by fluorescence assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50261551
PNG
(CHEMBL4094003)
Show SMILES Cl.c1ccc(cc1)-c1c2ccccc2nc2cc3ccccc3cc12
Show InChI InChI=1S/C23H15N/c1-2-8-16(9-3-1)23-19-12-6-7-13-21(19)24-22-15-18-11-5-4-10-17(18)14-20(22)23/h1-15H
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n/an/a 9.39E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...

Bioorg Med Chem 25: 5216-5237 (2017)


Article DOI: 10.1016/j.bmc.2017.07.067
BindingDB Entry DOI: 10.7270/Q26H4KVD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523791
PNG
(CHEMBL4473932)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccc(Br)cn1 |r|
Show InChI InChI=1S/C32H29BrN4O2/c1-39-31(38)30(35-21-28-18-17-27(33)20-34-28)19-29-22-37(23-36-29)32(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-18,20,22-23,30,35H,19,21H2,1H3/t30-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553471
PNG
(CHEMBL4751387)
Show SMILES COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C |r|
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n/an/a 1.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523801
PNG
(CHEMBL4465843)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C35H36N4O2/c1-38(2)32-21-19-27(20-22-32)24-36-33(34(40)41-3)23-31-25-39(26-37-31)35(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,25-26,33,36H,23-24H2,1-3H3/t33-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523793
PNG
(CHEMBL4520968)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H31N3O2/c1-38-32(37)31(34-23-26-14-6-2-7-15-26)22-30-24-36(25-35-30)33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,24-25,31,34H,22-23H2,1H3/t31-/m0/s1
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n/an/a 1.64E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523799
PNG
(CHEMBL4577801)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C32H28N4O3/c1-39-31(38)29(35-30(37)28-19-11-12-20-33-28)21-27-22-36(23-34-27)32(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,22-23,29H,21H2,1H3,(H,35,37)/t29-/m0/s1
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n/an/a 2.04E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523792
PNG
(CHEMBL4583638)
Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccn1 |r|
Show InChI InChI=1S/C32H30N4O2/c1-38-31(37)30(34-22-28-19-11-12-20-33-28)21-29-23-36(24-35-29)32(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,23-24,30,34H,21-22H2,1H3/t30-/m0/s1
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n/an/a 2.18E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553468
PNG
(CHEMBL4743384)
Show SMILES C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccn1
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n/an/a 3.93E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50523796
PNG
(CHEMBL4435754)
Show SMILES COC(=O)[C@@H](N)Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H25N3O2/c1-31-25(30)24(27)17-23-18-29(19-28-23)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19,24H,17,27H2,1H3/t24-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay

Bioorg Med Chem 27: 1767-1775 (2019)


Article DOI: 10.1016/j.bmc.2019.03.003
BindingDB Entry DOI: 10.7270/Q28P63Z2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553469
PNG
(CHEMBL4761384)
Show SMILES CN(C)c1cccc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553467
PNG
(CHEMBL4782892)
Show SMILES CN(C)c1ccc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50553466
PNG
(CHEMBL4799578)
Show SMILES COc1cc(ccc1CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM23802
PNG
(2-[(triphenylmethyl)sulfanyl]ethan-1-amine | Triph...)
Show SMILES NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127458
BindingDB Entry DOI: 10.7270/Q2TM7FSM
More data for this
Ligand-Target Pair
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