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PubMed code 26542966

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499796
PNG
(CHEMBL3742110)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:34|
Show InChI InChI=1S/C38H64N6O4/c1-22(2)24(5)33(6)16-17-35(8)25-12-13-28-34(7)19-47-21-38(28,26(25)14-15-36(35,9)29(33)31(45)46)18-27(44-42-32(39)41-43-44)30(34)48-20-37(10,40-11)23(3)4/h14,22-25,27-30,40H,12-13,15-21H2,1-11H3,(H2,39,42)(H,45,46)/t24-,25+,27-,28+,29-,30+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

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UniChem
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n/an/a 2.99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499806
PNG
(CHEMBL3740011)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33|
Show InChI InChI=1S/C37H62N6O4/c1-21(2)23(5)32(6)15-16-34(8)24-11-12-27-33(7)18-46-20-37(27,25(24)13-14-35(34,9)28(32)30(44)45)17-26(43-41-31(38)40-42-43)29(33)47-19-36(10,39)22(3)4/h13,21-24,26-29H,11-12,14-20,39H2,1-10H3,(H2,38,41)(H,44,45)/t23-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+,37+/m1/s1
UniProtKB/TrEMBL

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n/an/a 3.05n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499797
PNG
(CHEMBL3742052)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NCC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:35|
Show InChI InChI=1S/C39H66N6O4/c1-12-41-38(11,24(4)5)21-49-31-28(45-43-33(40)42-44-45)19-39-22-48-20-35(31,8)29(39)14-13-26-27(39)15-16-37(10)30(32(46)47)34(7,25(6)23(2)3)17-18-36(26,37)9/h15,23-26,28-31,41H,12-14,16-22H2,1-11H3,(H2,40,43)(H,46,47)/t25-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

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n/an/a 7.32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499793
PNG
(CHEMBL3739474)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@@H](OC(C)=O)[C@@H]4OC[C@](C)(N)C(C)C)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:30|
Show InChI InChI=1S/C38H63NO6/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-43-21-38(29,27(26)14-15-36(35,10)30(33)32(41)42)18-28(45-25(6)40)31(34)44-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,41,42)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 9.53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499808
PNG
(CHEMBL3741296)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NCCC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:36|
Show InChI InChI=1S/C40H68N6O4/c1-12-19-42-39(11,25(4)5)22-50-32-29(46-44-34(41)43-45-46)20-40-23-49-21-36(32,8)30(40)14-13-27-28(40)15-16-38(10)31(33(47)48)35(7,26(6)24(2)3)17-18-37(27,38)9/h15,24-27,29-32,42H,12-14,16-23H2,1-11H3,(H2,41,44)(H,47,48)/t26-,27+,29-,30+,31-,32+,35-,36?,37-,38+,39+,40+/m1/s1
UniProtKB/TrEMBL

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n/an/a 11.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499809
PNG
(CHEMBL3741220)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@@](C)(C(C)C)N(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:35|
Show InChI InChI=1S/C39H66N6O4/c1-23(2)25(5)34(6)17-18-36(8)26-13-14-29-35(7)20-48-22-39(29,27(26)15-16-37(36,9)30(34)32(46)47)19-28(45-42-33(40)41-43-45)31(35)49-21-38(10,24(3)4)44(11)12/h15,23-26,28-31H,13-14,16-22H2,1-12H3,(H2,40,42)(H,46,47)/t25-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

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n/an/a 13.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499807
PNG
(CHEMBL3740280)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NCCCC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:37|
Show InChI InChI=1S/C41H70N6O4/c1-12-13-20-43-40(11,26(4)5)23-51-33-30(47-45-35(42)44-46-47)21-41-24-50-22-37(33,8)31(41)15-14-28-29(41)16-17-39(10)32(34(48)49)36(7,27(6)25(2)3)18-19-38(28,39)9/h16,25-28,30-33,43H,12-15,17-24H2,1-11H3,(H2,42,45)(H,48,49)/t27-,28+,30-,31+,32-,33+,36-,37?,38-,39+,40+,41+/m1/s1
UniProtKB/TrEMBL

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n/an/a 14.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499799
PNG
(CHEMBL3741985)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@@H](OC(C)=O)[C@@H]4OC[C@@](C)(N)C(C)C)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:30|
Show InChI InChI=1S/C38H63NO6/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-43-21-38(29,27(26)14-15-36(35,10)30(33)32(41)42)18-28(45-25(6)40)31(34)44-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,41,42)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37-,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 22.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499794
PNG
(CHEMBL3741163)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnc(C)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33|
Show InChI InChI=1S/C38H63N5O4/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-46-21-38(29,27(26)14-15-36(35,10)30(33)32(44)45)18-28(43-41-25(6)40-42-43)31(34)47-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,44,45)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 24.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499811
PNG
(CHEMBL3742174)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnnc3N)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33|
Show InChI InChI=1S/C37H62N6O4/c1-21(2)23(5)32(6)15-16-34(8)24-11-12-27-33(7)18-46-20-37(27,25(24)13-14-35(34,9)28(32)30(44)45)17-26(43-31(38)40-41-42-43)29(33)47-19-36(10,39)22(3)4/h13,21-24,26-29H,11-12,14-20,39H2,1-10H3,(H,44,45)(H2,38,40,42)/t23-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+,37+/m1/s1
UniProtKB/TrEMBL

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n/an/a 56.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499805
PNG
(CHEMBL3741171)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnnc3C)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33|
Show InChI InChI=1S/C38H63N5O4/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-46-21-38(29,27(26)14-15-36(35,10)30(33)32(44)45)18-28(43-25(6)40-41-42-43)31(34)47-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,44,45)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 71.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499792
PNG
(CHEMBL3739756)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@@H](OC(C)=O)[C@@H]4OCC(C)(C)N)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:28|
Show InChI InChI=1S/C36H59NO6/c1-21(2)22(3)32(7)15-16-34(9)24-11-12-27-33(8)19-41-20-36(27,25(24)13-14-35(34,10)28(32)30(39)40)17-26(43-23(4)38)29(33)42-18-31(5,6)37/h13,21-22,24,26-29H,11-12,14-20,37H2,1-10H3,(H,39,40)/t22-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+/m1/s1
UniProtKB/TrEMBL

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n/an/a 74.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499810
PNG
(CHEMBL3741086)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnnc3NC(C)=O)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:36|
Show InChI InChI=1S/C39H64N6O5/c1-22(2)24(5)34(7)16-17-36(9)26-12-13-29-35(8)19-49-21-39(29,27(26)14-15-37(36,10)30(34)32(47)48)18-28(31(35)50-20-38(11,40)23(3)4)45-33(41-25(6)46)42-43-44-45/h14,22-24,26,28-31H,12-13,15-21,40H2,1-11H3,(H,47,48)(H,41,42,44,46)/t24-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

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n/an/a 81.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499804
PNG
(CHEMBL3740861)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@@H](OC(C)=O)[C@@H]4OCCN)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:26|
Show InChI InChI=1S/C34H55NO6/c1-20(2)21(3)30(5)13-14-32(7)23-9-10-26-31(6)18-39-19-34(26,17-25(41-22(4)36)28(31)40-16-15-35)24(23)11-12-33(32,8)27(30)29(37)38/h11,20-21,23,25-28H,9-10,12-19,35H2,1-8H3,(H,37,38)/t21-,23+,25-,26+,27-,28+,30-,31?,32-,33+,34+/m1/s1
UniProtKB/TrEMBL

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UniChem
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n/an/a 81.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499795
PNG
(CHEMBL3740165)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnc(NC(C)=O)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:36|
Show InChI InChI=1S/C39H64N6O5/c1-22(2)24(5)34(7)16-17-36(9)26-12-13-29-35(8)19-49-21-39(29,27(26)14-15-37(36,10)30(34)32(47)48)18-28(31(35)50-20-38(11,40)23(3)4)45-43-33(42-44-45)41-25(6)46/h14,22-24,26,28-31H,12-13,15-21,40H2,1-11H3,(H,47,48)(H,41,43,46)/t24-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

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n/an/a 86.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499787
PNG
(CHEMBL3740212)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)OC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C38H60O11/c1-19(2)20(3)34(5)13-14-36(7)22-9-10-26-35(6)17-46-18-38(26,23(22)11-12-37(36,8)30(34)32(44)45)15-24(47-21(4)40)31(35)49-33-29(43)28(42)27(41)25(16-39)48-33/h11,19-20,22,24-31,33,39,41-43H,9-10,12-18H2,1-8H3,(H,44,45)/t20-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 86.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499801
PNG
(CHEMBL3740840)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2cncn2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C38H59N3O9/c1-20(2)21(3)34(4)12-13-36(6)22-8-9-26-35(5)16-48-17-38(26,23(22)10-11-37(36,7)30(34)32(46)47)14-24(41-19-39-18-40-41)31(35)50-33-29(45)28(44)27(43)25(15-42)49-33/h10,18-22,24-31,33,42-45H,8-9,11-17H2,1-7H3,(H,46,47)/t21-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 341n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499788
PNG
(CHEMBL3740729)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C42H62O10/c1-23(2)24(3)38(4)17-18-40(6)26-13-14-30-39(5)21-49-22-42(30,27(26)15-16-41(40,7)34(38)36(47)48)19-28(50-25-11-9-8-10-12-25)35(39)52-37-33(46)32(45)31(44)29(20-43)51-37/h8-12,15,23-24,26,28-35,37,43-46H,13-14,16-22H2,1-7H3,(H,47,48)/t24-,26+,28-,29-,30+,31-,32+,33-,34-,35+,37+,38-,39?,40-,41+,42+/m1/s1
UniProtKB/TrEMBL

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n/an/a 577n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499800
PNG
(CHEMBL3740534)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)c2ccc(OC)cc2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C43H64O10/c1-23(2)24(3)39(4)17-18-41(6)28-13-14-31-40(5)21-51-22-43(31,29(28)15-16-42(41,7)35(39)37(48)49)19-27(25-9-11-26(50-8)12-10-25)36(40)53-38-34(47)33(46)32(45)30(20-44)52-38/h9-12,15,23-24,27-28,30-36,38,44-47H,13-14,16-22H2,1-8H3,(H,48,49)/t24-,27+,28+,30-,31+,32-,33+,34-,35-,36+,38+,39-,40?,41-,42+,43+/m1/s1
UniProtKB/TrEMBL

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n/an/a 634n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499790
PNG
(CHEMBL3741728)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2cccn2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C39H60N2O9/c1-21(2)22(3)35(4)13-14-37(6)23-9-10-27-36(5)19-48-20-39(27,24(23)11-12-38(37,7)31(35)33(46)47)17-25(41-16-8-15-40-41)32(36)50-34-30(45)29(44)28(43)26(18-42)49-34/h8,11,15-16,21-23,25-32,34,42-45H,9-10,12-14,17-20H2,1-7H3,(H,46,47)/t22-,23+,25-,26-,27+,28-,29+,30-,31-,32+,34+,35-,36?,37-,38+,39+/m1/s1
UniProtKB/TrEMBL

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n/an/a 813n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499798
PNG
(CHEMBL3739429)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2cc3ccccc3n2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C43H62N2O9/c1-23(2)24(3)39(4)16-17-41(6)26-12-13-31-40(5)21-52-22-43(31,27(26)14-15-42(41,7)35(39)37(50)51)18-29(45-19-25-10-8-9-11-28(25)44-45)36(40)54-38-34(49)33(48)32(47)30(20-46)53-38/h8-11,14,19,23-24,26,29-36,38,46-49H,12-13,15-18,20-22H2,1-7H3,(H,50,51)/t24-,26+,29-,30-,31+,32-,33+,34-,35-,36+,38+,39-,40?,41-,42+,43+/m1/s1
UniProtKB/TrEMBL

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n/an/a 1.19E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499789
PNG
(CHEMBL3741737)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2ncc3ccccc23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C43H62N2O9/c1-23(2)24(3)39(4)16-17-41(6)26-12-13-31-40(5)21-52-22-43(31,27(26)14-15-42(41,7)35(39)37(50)51)18-29(45-28-11-9-8-10-25(28)19-44-45)36(40)54-38-34(49)33(48)32(47)30(20-46)53-38/h8-11,14,19,23-24,26,29-36,38,46-49H,12-13,15-18,20-22H2,1-7H3,(H,50,51)/t24-,26+,29-,30-,31+,32-,33+,34-,35-,36+,38+,39-,40?,41-,42+,43+/m1/s1
UniProtKB/TrEMBL

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n/an/a>1.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499791
PNG
(CHEMBL3741042)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COC[C@]2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2nccn2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C38H59N3O9/c1-20(2)21(3)34(4)12-13-36(6)22-8-9-26-35(5)18-48-19-38(26,23(22)10-11-37(36,7)30(34)32(46)47)16-24(41-39-14-15-40-41)31(35)50-33-29(45)28(44)27(43)25(17-42)49-33/h10,14-15,20-22,24-31,33,42-45H,8-9,11-13,16-19H2,1-7H3,(H,46,47)/t21-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499802
PNG
(CHEMBL3740960)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2ccc3ccccc23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C44H63NO9/c1-24(2)25(3)40(4)17-18-42(6)27-12-13-32-41(5)22-52-23-44(32,28(27)14-16-43(42,7)36(40)38(50)51)20-30(45-19-15-26-10-8-9-11-29(26)45)37(41)54-39-35(49)34(48)33(47)31(21-46)53-39/h8-11,14-15,19,24-25,27,30-37,39,46-49H,12-13,16-18,20-23H2,1-7H3,(H,50,51)/t25-,27+,30-,31-,32+,33-,34+,35-,36-,37+,39+,40-,41?,42-,43+,44+/m1/s1
UniProtKB/TrEMBL

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n/an/a 1.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499803
PNG
(CHEMBL3740167)
Show SMILES [H][C@@]1(O[C@H]2[C@@H](C[C@@]34COCC2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)n2ccnn2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:21|
Show InChI InChI=1S/C38H59N3O9/c1-20(2)21(3)34(4)12-13-36(6)22-8-9-26-35(5)18-48-19-38(26,23(22)10-11-37(36,7)30(34)32(46)47)16-24(41-15-14-39-40-41)31(35)50-33-29(45)28(44)27(43)25(17-42)49-33/h10,14-15,20-22,24-31,33,42-45H,8-9,11-13,16-19H2,1-7H3,(H,46,47)/t21-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
UniProtKB/TrEMBL

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n/an/a>1.42E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%