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Compile Data Set for Download or QSAR

Found 17 hits of ec50 for UniProtKB: P40989   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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n/an/an/an/a 1.90n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by fluorescence polarization assay


ACS Med Chem Lett 5: 255-8 (2014)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50499726
PNG
(CHEMBL3742181)
Show SMILES Fc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C20H14BrFN2O3/c21-18-8-5-14(22)10-17(18)20(26)13-3-6-16(7-4-13)27-12-19(25)24-15-2-1-9-23-11-15/h1-11H,12H2,(H,24,25)
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n/an/an/an/a 4.60E+3n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Induction of dissociation of [3H]-dofetilide from Kv11.1 channel (unknown origin) assessed as dissociation rate expressed in HEK293 cells after 1 hr


Eur J Med Chem 106: 50-9 (2015)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50495958
PNG
(CHEMBL3121684)
Show SMILES Fc1cccc(-c2nc3cnn(Cc4ccc(nc4)-c4ccc(cc4C(F)(F)F)C(F)(F)F)cc3n2)c1F
Show InChI InChI=1S/C25H13F8N5/c26-18-3-1-2-16(22(18)27)23-36-20-10-35-38(12-21(20)37-23)11-13-4-7-19(34-9-13)15-6-5-14(24(28,29)30)8-17(15)25(31,32)33/h1-10,12H,11H2
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n/an/an/an/a 7.94E+3n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp technique


J Med Chem 57: 1964-75 (2014)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50496206
PNG
(CHEMBL3125176)
Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C42H44N6O8/c1-55-41(53)45-35(29-11-5-3-6-12-29)39(51)47-25-9-15-33(47)37(49)43-31-21-17-27(18-22-31)28-19-23-32(24-20-28)44-38(50)34-16-10-26-48(34)40(52)36(46-42(54)56-2)30-13-7-4-8-14-30/h3-8,11-14,17-24,33-36H,9-10,15-16,25-26H2,1-2H3,(H,43,49)(H,44,50)(H,45,53)(H,46,54)/t33-,34-,35+,36+/m0/s1
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n/an/an/an/a 9.80E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by fluorescence polarization assay


ACS Med Chem Lett 5: 255-8 (2014)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)22-16(19)14(17(20)24)15(21-22)12-5-4-11-9-13(23)7-6-10(11)8-12/h4-9,23H,19H2,1-3H3,(H2,20,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50499725
PNG
(CHEMBL3740963)
Show SMILES Brc1ccccc1C(=O)c1ccc(OCC(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C20H15BrN2O3/c21-18-6-2-1-5-17(18)20(25)14-7-9-16(10-8-14)26-13-19(24)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,24)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Induction of dissociation of [3H]-dofetilide from Kv11.1 channel (unknown origin) assessed as dissociation rate expressed in HEK293 cells after 1 hr


Eur J Med Chem 106: 50-9 (2015)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148652
PNG
(CHEMBL3770802 | US9518026, Example 57 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
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n/an/an/an/a 1.41E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148632
PNG
(CHEMBL3770409 | US9518026, Example 40 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/an/an/a 1.88E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148749
PNG
(CHEMBL3770313 | US9518026, Example 70 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)
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n/an/an/an/a 2.28E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446177
PNG
(CHEMBL3108991 | US9518026, Example 18 | US9956214,...)
Show SMILES NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148728
PNG
(CHEMBL3770425 | US9518026, Example 65 | US9956214,...)
Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200557
PNG
(CHEMBL3908956)
Show SMILES CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C20H23N5O2/c1-11(2)25-19(21)17(20(22)26)18(24-25)13-6-8-15-12(10-13)7-9-16(23-15)27-14-4-3-5-14/h6-11,14H,3-5,21H2,1-2H3,(H2,22,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446178
PNG
(CHEMBL3108913 | US9518026, Example 3 | US9956214, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148648
PNG
(CHEMBL3770743 | US9518026, Example 54 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O3/c1-4-28-14-6-5-12-7-13(9-23-15(12)8-14)17-16(19(22)27)18(21)25(24-17)10-20(2,3)11-26/h5-9,26H,4,10-11,21H2,1-3H3,(H2,22,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50246760
PNG
(CHEMBL4075348)
Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1
Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human ERG by manual patch clamp method


J Med Chem 61: 1425-1435 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01288
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)
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n/an/an/an/a 3.98E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair