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Compile Data Set for Download or QSAR

Found 561 hits Enz. Inhib. hit(s) with Target = 'Glucan Synthase'   
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
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111590
PNG
(US8624022, OGT4325)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C28H26F3N3O3/c29-37(30)31-18-22-7-4-8-24(17-22)23-10-12-26(13-11-23)34(20-28(36)33-16-15-25(32)19-33)27(35)14-9-21-5-2-1-3-6-21/h1-14,17,25H,15-16,19-20,32H2/b14-9+/t25-/m0/s1
KEGG

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 1.56E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111591
PNG
(US8624022, OGT4355)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)N(CC(=O)N1CC[C@H](N)C1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C29H31N3O2/c1-2-22-9-6-10-25(19-22)24-12-14-27(15-13-24)32(21-29(34)31-18-17-26(30)20-31)28(33)16-11-23-7-4-3-5-8-23/h3-16,19,26H,2,17-18,20-21,30H2,1H3/b16-11+/t26-/m0/s1
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US Patent
n/an/a 2.30E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111592
PNG
(US8624022, OGT4344)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H27N3O3/c28-22-17-18-29(19-22)27(32)20-30(26(31)16-11-21-7-3-1-4-8-21)23-12-14-25(15-13-23)33-24-9-5-2-6-10-24/h1-16,22H,17-20,28H2/b16-11+/t22-/m0/s1
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US Patent
n/an/a 4.90E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
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US Patent
n/an/a 6.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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US Patent
n/an/a 5.60E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
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US Patent
n/an/a 5.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Glucan Synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111596
PNG
(US8624022, OGT3935)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C27H29ClN4O3/c28-21-8-6-7-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)24-11-4-5-12-25(24)35-23-9-2-1-3-10-23/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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US Patent
n/an/a 3.80E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
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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11n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis


ACS Med Chem Lett 7: 245-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50169085
PNG
(CHEMBL3805898)
Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)c2nonc12
Show InChI InChI=1S/C29H31FN8O3/c30-21-9-7-20(8-10-21)19-37-25-6-2-1-5-23(25)33-29(37)32-22-13-17-36(18-14-22)16-4-3-15-31-24-11-12-26(38(39)40)28-27(24)34-41-35-28/h1-2,5-12,22,31H,3-4,13-19H2,(H,32,33)
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12n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis


ACS Med Chem Lett 7: 245-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50169084
PNG
(CHEMBL3805335)
Show SMILES CC(=O)Nc1ccc2C(=O)N(CCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)C(=O)c3cccc1c23
Show InChI InChI=1S/C37H37FN6O3/c1-24(45)39-31-16-15-30-34-28(31)7-6-8-29(34)35(46)43(36(30)47)20-5-4-19-42-21-17-27(18-22-42)40-37-41-32-9-2-3-10-33(32)44(37)23-25-11-13-26(38)14-12-25/h2-3,6-16,27H,4-5,17-23H2,1H3,(H,39,45)(H,40,41)
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91n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis


ACS Med Chem Lett 7: 245-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50169086
PNG
(CHEMBL3804918)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C37H43FN6O3/c1-3-43(4-2)30-16-13-27-23-31(36(46)47-34(27)24-30)35(45)39-19-7-8-20-42-21-17-29(18-22-42)40-37-41-32-9-5-6-10-33(32)44(37)25-26-11-14-28(38)15-12-26/h5-6,9-16,23-24,29H,3-4,7-8,17-22,25H2,1-2H3,(H,39,45)(H,40,41)
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217n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis


ACS Med Chem Lett 7: 245-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Astemizole from human ERG by membrane binding assay


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200478
PNG
(CHEMBL3967752)
Show SMILES C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
Show InChI InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200481
PNG
(CHEMBL3986017)
Show SMILES C[C@H]([C@@H]1CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
Show InChI InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1
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n/an/a 3.31E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200480
PNG
(CHEMBL3965352)
Show SMILES C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200498
PNG
(CHEMBL3924243)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50134443
PNG
(CHEMBL3746457)
Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142038
PNG
(CHEMBL3758349)
Show SMILES CC(CCNCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3/c1-16(28-22-5-7-27-23-11-20(25)2-3-21(22)23)4-6-26-15-24-12-17-8-18(13-24)10-19(9-17)14-24/h2-3,5,7,11,16-19,26H,4,6,8-10,12-15H2,1H3,(H,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch plate method


J Med Chem 59: 264-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01374
BindingDB Entry DOI: 10.7270/Q2CR5W7D
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142039
PNG
(CHEMBL3758840)
Show SMILES CC(CCNCC12CC3CC(CC(C3)C1)C2)Nc1c(F)cnc2cc(Cl)ccc12
Show InChI InChI=1S/C24H31ClFN3/c1-15(29-23-20-3-2-19(25)9-22(20)28-13-21(23)26)4-5-27-14-24-10-16-6-17(11-24)8-18(7-16)12-24/h2-3,9,13,15-18,27H,4-8,10-12,14H2,1H3,(H,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch plate method


J Med Chem 59: 264-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01374
BindingDB Entry DOI: 10.7270/Q2CR5W7D
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch plate method


J Med Chem 59: 264-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01374
BindingDB Entry DOI: 10.7270/Q2CR5W7D
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139159
PNG
(CHEMBL3765596)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)18-3-1-2-16(12-18)25(34)31-19-6-4-15-5-7-20(14-17(15)13-19)35-22-10-11-30-24-21(22)8-9-23(33)32-24/h1-3,5,7,10-12,14,19H,4,6,8-9,13H2,(H,31,34)(H,30,32,33)/t19-/m1/s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339621
PNG
(3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...)
Show SMILES CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O3/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36)/t21-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139147
PNG
(CHEMBL3765509)
Show SMILES Cl.Cl.CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3.2ClH/c1-2-33-16-17-11-20(13-21(12-17)29(30,31)32)28(38)35-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-34-27-24(25)7-8-26(37)36-27;;/h4,6,9-13,15,22,33H,2-3,5,7-8,14,16H2,1H3,(H,35,38)(H,34,36,37);2*1H/t22-;;/m1../s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139148
PNG
(CHEMBL3764101)
Show SMILES Cl.Cl.NCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C27H25F3N4O3.2ClH/c28-27(29,30)19-10-15(14-31)9-18(11-19)26(36)33-20-3-1-16-2-4-21(13-17(16)12-20)37-23-7-8-32-25-22(23)5-6-24(35)34-25;;/h2,4,7-11,13,20H,1,3,5-6,12,14,31H2,(H,33,36)(H,32,34,35);2*1H/t20-;;/m1../s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139149
PNG
(CHEMBL3765012)
Show SMILES Cl.Cl.NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H29F3N4O3.2ClH/c31-30(32,33)21-13-19(12-20(16-21)29(34)9-1-10-29)28(39)36-22-4-2-17-3-5-23(15-18(17)14-22)40-25-8-11-35-27-24(25)6-7-26(38)37-27;;/h3,5,8,11-13,15-16,22H,1-2,4,6-7,9-10,14,34H2,(H,36,39)(H,35,37,38);2*1H/t22-;;/m1../s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139150
PNG
(CHEMBL3763999)
Show SMILES Cl.N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O4.ClH/c29-28(30,31)19-10-17(23(32)14-36)9-18(11-19)27(38)34-20-3-1-15-2-4-21(13-16(15)12-20)39-24-7-8-33-26-22(24)5-6-25(37)35-26;/h2,4,7-11,13,20,23,36H,1,3,5-6,12,14,32H2,(H,34,38)(H,33,35,37);1H/t20-,23-;/m1./s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139151
PNG
(CHEMBL3764870)
Show SMILES Cl.Cl.OC1(CNC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H27F3N4O4.2ClH/c30-29(31,32)20-10-18(9-19(13-20)28(39)14-33-15-28)27(38)35-21-3-1-16-2-4-22(12-17(16)11-21)40-24-7-8-34-26-23(24)5-6-25(37)36-26;;/h2,4,7-10,12-13,21,33,39H,1,3,5-6,11,14-15H2,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139152
PNG
(CHEMBL3764275)
Show SMILES OCC1COCCN1Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C32H33F3N4O5/c33-32(34,35)23-12-19(16-39-9-10-43-18-25(39)17-40)11-22(13-23)31(42)37-24-3-1-20-2-4-26(15-21(20)14-24)44-28-7-8-36-30-27(28)5-6-29(41)38-30/h2,4,7-8,11-13,15,24-25,40H,1,3,5-6,9-10,14,16-18H2,(H,37,42)(H,36,38,41)/t24-,25?/m1/s1
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Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139153
PNG
(CHEMBL3765355)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cnc[nH]1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-10-18(24-14-33-15-35-24)9-19(11-20)28(39)36-21-3-1-16-2-4-22(13-17(16)12-21)40-25-7-8-34-27-23(25)5-6-26(38)37-27/h2,4,7-11,13-15,21H,1,3,5-6,12H2,(H,33,35)(H,36,39)(H,34,37,38)/t21-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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n/an/a 83n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142900
PNG
(CHEMBL3759768)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)C1CCC1
Show InChI InChI=1S/C38H46N4O5S/c1-40-20-25-12-13-26(21-40)42(25)37(44)38-19-32(38)31-18-27(47-2)14-16-29(31)35-34(23-7-4-3-5-8-23)30-15-11-24(17-33(30)41(35)22-38)36(43)39-48(45,46)28-9-6-10-28/h11,14-18,23,25-26,28,32H,3-10,12-13,19-22H2,1-2H3,(H,39,43)/t25?,26?,32-,38-/m0/s1
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n/an/a 3.81E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by FLIPR assay


Bioorg Med Chem Lett 26: 936-40 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50448498
PNG
(BECLABUVIR | BMS-791325 | Beclabuvir)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by FLIPR assay


Bioorg Med Chem Lett 26: 936-40 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142901
PNG
(CHEMBL3758288)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)C(C)C
Show InChI InChI=1S/C37H46N4O5S/c1-22(2)47(44,45)38-35(42)24-10-14-29-32(16-24)40-21-37(36(43)41-25-11-12-26(41)20-39(3)19-25)18-31(37)30-17-27(46-4)13-15-28(30)34(40)33(29)23-8-6-5-7-9-23/h10,13-17,22-23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,42)/t25?,26?,31-,37-/m0/s1
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n/an/a 4.09E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by FLIPR assay


Bioorg Med Chem Lett 26: 936-40 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142902
PNG
(CHEMBL3760108)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)CC(C)C
Show InChI InChI=1S/C38H48N4O5S/c1-23(2)21-48(45,46)39-36(43)25-10-14-30-33(16-25)41-22-38(37(44)42-26-11-12-27(42)20-40(3)19-26)18-32(38)31-17-28(47-4)13-15-29(31)35(41)34(30)24-8-6-5-7-9-24/h10,13-17,23-24,26-27,32H,5-9,11-12,18-22H2,1-4H3,(H,39,43)/t26?,27?,32-,38-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by FLIPR assay


Bioorg Med Chem Lett 26: 936-40 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139154
PNG
(CHEMBL3765074)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139155
PNG
(CHEMBL3765708)
Show SMILES Cl.FC(F)(F)c1cc(cc(c1)-c1cn[nH]c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3.ClH/c30-29(31,32)21-10-17(20-14-34-35-15-20)9-19(11-21)28(39)36-22-3-1-16-2-4-23(13-18(16)12-22)40-25-7-8-33-27-24(25)5-6-26(38)37-27;/h2,4,7-11,13-15,22H,1,3,5-6,12H2,(H,34,35)(H,36,39)(H,33,37,38);1H/t22-;/m1./s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139156
PNG
(CHEMBL3763694)
Show SMILES Cl.Cl.Cn1cnc(c1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.2ClH/c1-38-15-25(35-16-38)19-10-20(12-21(11-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(14-18(17)13-22)41-26-8-9-34-28-24(26)6-7-27(39)37-28;;/h3,5,8-12,14-16,22H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);2*1H/t22-;;/m1../s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139157
PNG
(CHEMBL3764588)
Show SMILES Cl.Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-25(8-11-35-38)19-12-20(14-21(13-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(16-18(17)15-22)41-26-9-10-34-28-24(26)6-7-27(39)37-28;/h3,5,8-14,16,22H,2,4,6-7,15H2,1H3,(H,36,40)(H,34,37,39);1H/t22-;/m1./s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139158
PNG
(CHEMBL3763646)
Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50388686
PNG
(CHEMBL74656)
Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142917
PNG
(CHEMBL3758721)
Show SMILES CO[C@@H]1CN(CCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C20H27ClN4O3/c1-27-18-12-16(22)15(21)11-14(18)20(26)23-17-5-8-25(13-19(17)28-2)10-9-24-6-3-4-7-24/h3-4,6-7,11-12,17,19H,5,8-10,13,22H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142915
PNG
(CHEMBL3758932)
Show SMILES CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C21H29ClN4O3/c1-28-19-13-17(23)16(22)12-15(19)21(27)24-18-6-11-26(14-20(18)29-2)10-5-9-25-7-3-4-8-25/h3-4,7-8,12-13,18,20H,5-6,9-11,14,23H2,1-2H3,(H,24,27)/t18-,20+/m0/s1
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n/an/a 6.84E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142914
PNG
(CHEMBL3758199)
Show SMILES CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C20H28ClN5O3/c1-28-18-11-16(22)15(21)10-14(18)20(27)24-17-4-8-25(12-19(17)29-2)6-3-7-26-9-5-23-13-26/h5,9-11,13,17,19H,3-4,6-8,12,22H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 7.26E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142913
PNG
(CHEMBL3759601)
Show SMILES CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1
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n/an/a 7.71E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142912
PNG
(CHEMBL3758523)
Show SMILES CO[C@@H]1CN(CCCn2ncnn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C18H26ClN7O3/c1-28-16-9-14(20)13(19)8-12(16)18(27)23-15-4-7-25(10-17(15)29-2)5-3-6-26-22-11-21-24-26/h8-9,11,15,17H,3-7,10,20H2,1-2H3,(H,23,27)/t15-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142911
PNG
(CHEMBL3758578)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C21H31ClN4O4/c1-29-18-12-16(23)15(22)11-14(18)21(28)24-17-5-9-25(13-19(17)30-2)10-6-20(27)26-7-3-4-8-26/h11-12,17,19H,3-10,13,23H2,1-2H3,(H,24,28)/t17-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142910
PNG
(CHEMBL3758945)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C22H33ClN4O4/c1-30-19-13-17(24)16(23)12-15(19)22(29)25-18-6-10-26(14-20(18)31-2)11-7-21(28)27-8-4-3-5-9-27/h12-13,18,20H,3-11,14,24H2,1-2H3,(H,25,29)/t18-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
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