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Compile Data Set for Download or QSAR

Found 10291 hits Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase component GLS2'   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG current by whole cell electrophisiology study


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50117930
PNG
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)
Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
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n/an/an/an/a 25n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as reduction of tail current


Eur J Med Chem 101: 627-39 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.029
BindingDB Entry DOI: 10.7270/Q2QF8VPZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50222113
PNG
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3
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n/an/an/an/a 120n/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to hERG expressed in CHO cells by patch clamp assay


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114807
PNG
(CHEMBL3608385)
Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114806
PNG
(CHEMBL3609752)
Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1
Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275887
PNG
(CHEMBL470582 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CS(=O)(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H29N5O3S2/c1-35(32,33)30-13-10-25(17-30)8-11-29(12-9-25)23-7-5-19(16-27-23)24(31)28-21-15-18(4-6-20(21)26)22-3-2-14-34-22/h2-7,14-16H,8-13,17,26H2,1H3,(H,28,31)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275888
PNG
(CHEMBL470798 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)c2ncccn2)CC1)-c1cccs1
Show InChI InChI=1S/C28H29N7OS/c29-22-6-4-20(24-3-1-16-37-24)17-23(22)33-26(36)21-5-7-25(32-18-21)34-13-8-28(9-14-34)10-15-35(19-28)27-30-11-2-12-31-27/h1-7,11-12,16-18H,8-10,13-15,19,29H2,(H,33,36)
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n/an/an/an/a 3.35E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/an/an/a 4.50E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50391759
PNG
(CHEMBL2146751)
Show SMILES C[C@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


ACS Med Chem Lett 2: 786-791 (2011)


Article DOI: 10.1021/ml200175q
BindingDB Entry DOI: 10.7270/Q2R78G9Q
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50357687
PNG
(CHEMBL1956112)
Show SMILES CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C21H28N4S/c1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23)/t18-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275886
PNG
(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyr...)
Show SMILES CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv11.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/an/an/a 5.80E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275941
PNG
(CHEMBL513250 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CCO)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H31N5O2S/c27-21-5-3-19(23-2-1-15-34-23)16-22(21)29-25(33)20-4-6-24(28-17-20)31-11-8-26(9-12-31)7-10-30(18-26)13-14-32/h1-6,15-17,32H,7-14,18,27H2,(H,29,33)
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n/an/an/an/a 6.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114837
PNG
(CHEMBL3609755)
Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1
Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1
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n/an/an/an/a 7.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50376592
PNG
(CHEMBL406931)
Show SMILES COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(O)=O)c2c1
Show InChI InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Activation of human ERG1 isoform 1 expressed in Xenopus laevis oocytes assessed as shifting of voltage dependence of inactivation towards positive po...


Proc Natl Acad Sci USA 104: 13827-32 (2007)


Article DOI: 10.1073/pnas.0703934104
BindingDB Entry DOI: 10.7270/Q2GT5P29
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv11.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114805
PNG
(CHEMBL3608384)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114810
PNG
(CHEMBL3609754)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1
Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275986
PNG
(6-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275885
PNG
(6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275985
PNG
(6-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)30-15-25(16-30)8-10-29(11-9-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275984
PNG
(6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(CCN(C2)c2ccc(cn2)C(=O)Nc2cc(ccc2N)-c2cccs2)C1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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n/an/an/an/a 1.03E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114800
PNG
(CHEMBL3609749)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148652
PNG
(CHEMBL3770802 | US9518026, Example 57)
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50114845
PNG
(CHEMBL3609759)
Show SMILES COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C24H21F4N7O2/c1-14-29-13-35(31-14)20-8-6-15(10-22(20)37-2)18-11-34(32-30-18)21-9-7-16-17(25)4-3-5-19(16)33(23(21)36)12-24(26,27)28/h3-6,8,10-11,13,21H,7,9,12H2,1-2H3/t21-/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50376592
PNG
(CHEMBL406931)
Show SMILES COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(O)=O)c2c1
Show InChI InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Activation of human ERG1 isoform 1 expressed in Xenopus laevis oocytes assessed as increase in peak tail current magnitude by two electrode voltage c...


Proc Natl Acad Sci USA 104: 13827-32 (2007)


Article DOI: 10.1073/pnas.0703934104
BindingDB Entry DOI: 10.7270/Q2GT5P29
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50391758
PNG
(CHEMBL2146750)
Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


ACS Med Chem Lett 2: 786-791 (2011)


Article DOI: 10.1021/ml200175q
BindingDB Entry DOI: 10.7270/Q2R78G9Q
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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n/an/an/an/a 1.80E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148632
PNG
(CHEMBL3770409 | US9518026, Example 40)
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)
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394740
PNG
(CHEMBL2165826)
Show SMILES CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22)
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n/an/an/an/a 2.75E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
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)
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)
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)
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394742
PNG
(CHEMBL2165824)
Show SMILES CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-20-9-4-11-22-10-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-3-12-23-17/h3,6-8,12-13,20H,2,4-5,9-11H2,1H3,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394741
PNG
(CHEMBL2165825)
Show SMILES CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-2-20-9-11-22-10-3-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394739
PNG
(CHEMBL2165827)
Show SMILES OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4OS/c19-18(17-4-2-12-24-17)21-15-5-6-16-14(13-15)3-1-9-22(16)10-7-20-8-11-23/h2,4-6,12-13,20,23H,1,3,7-11H2,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394738
PNG
(CHEMBL2165828)
Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50394737
PNG
(CHEMBL2165829)
Show SMILES OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50348732
PNG
(CHEMBL1801504)
Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C19H15F2N5O/c20-13-5-4-12-11(8-14(27)24-16(12)15(13)21)9-26-18(10-2-1-3-10)25-17-19(26)23-7-6-22-17/h4-8,10H,1-3,9H2,(H,24,27)
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Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 53: 7739-55 (2010)


Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50348733
PNG
(CHEMBL1801060)
Show SMILES Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12
Show InChI InChI=1S/C19H16FN5O/c20-14-6-2-5-13-12(9-15(26)23-16(13)14)10-25-18(11-3-1-4-11)24-17-19(25)22-8-7-21-17/h2,5-9,11H,1,3-4,10H2,(H,23,26)
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Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 53: 7739-55 (2010)


Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50348710
PNG
(CHEMBL1801506)
Show SMILES CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C19H17F2N5O/c1-10(2)7-14-24-18-19(23-6-5-22-18)26(14)9-11-8-15(27)25-17-12(11)3-4-13(20)16(17)21/h3-6,8,10H,7,9H2,1-2H3,(H,25,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 53: 7739-55 (2010)


Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275432
PNG
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1
Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


Bioorg Med Chem Lett 18: 6093-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275377
PNG
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O
Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


Bioorg Med Chem Lett 18: 6093-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446177
PNG
(CHEMBL3108991 | US9518026, Example 18)
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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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
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