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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'abruzzo' and Initial = 'gk'   
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-glucan synthase


(Candida glabrata)
BDBM50289910
PNG
(1N-[21-(2-aminoethoxy)-3-(3-amino-1-hydroxypropyl)...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)OCCN
Show InChI InChI=1S/C52H87N9O16/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(68)55-35-24-38(66)50(77-21-20-54)59-46(71)34-26-60(27-39(34)67)51(75)42(37(65)18-19-53)57-49(74)43(45(70)44(69)31-14-16-32(63)17-15-31)58-48(73)36-23-33(64)25-61(36)52(76)41(30(4)62)56-47(35)72/h14-17,28-30,33-39,41-45,50,62-67,69-70H,5-13,18-27,53-54H2,1-4H3,(H,55,68)(H,56,72)(H,57,74)(H,58,73)(H,59,71)/t28?,29?,30-,33-,34?,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,50-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289923
PNG
(1N-[21-(2-aminoethoxy)-3-[3-(1,4-diaminobutylcarbo...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCN)OCCN
Show InChI InChI=1S/C57H97N11O17/c1-5-31(2)25-32(3)13-10-8-6-7-9-11-15-44(75)62-39-27-42(73)55(85-24-22-59)66-50(78)37-29-67(30-43(37)74)56(83)46(41(72)20-23-61-51(79)38(60)14-12-21-58)64-54(82)47(49(77)48(76)34-16-18-35(70)19-17-34)65-53(81)40-26-36(71)28-68(40)57(84)45(33(4)69)63-52(39)80/h16-19,31-33,36-43,45-49,55,69-74,76-77H,5-15,20-30,58-60H2,1-4H3,(H,61,79)(H,62,75)(H,63,80)(H,64,82)(H,65,81)(H,66,78)/t31?,32?,33-,36-,37?,38+,39?,40?,41-,42-,43+,45+,46+,47+,48+,49+,55-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289922
PNG
(1N-[3-[3-(1,4-diaminobutylcarboxamido)-1-hydroxypr...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCN
Show InChI InChI=1S/C55H92N10O17/c1-5-29(2)23-30(3)13-10-8-6-7-9-11-15-42(72)59-37-25-40(70)52(79)63-48(75)35-27-64(28-41(35)71)54(81)44(39(69)20-22-58-49(76)36(57)14-12-21-56)61-53(80)45(47(74)46(73)32-16-18-33(67)19-17-32)62-51(78)38-24-34(68)26-65(38)55(82)43(31(4)66)60-50(37)77/h16-19,29-31,34-41,43-47,52,66-71,73-74,79H,5-15,20-28,56-57H2,1-4H3,(H,58,76)(H,59,72)(H,60,77)(H,61,80)(H,62,78)(H,63,75)/t29?,30?,31-,34-,35?,36+,37?,38?,39-,40-,41+,43+,44+,45+,46+,47+,52-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289914
PNG
(1N-[21-(2-aminoethoxy)-3-[3-(1,5-diaminopentylcarb...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCCN)OCCN
Show InChI InChI=1S/C58H99N11O17/c1-5-32(2)26-33(3)14-10-8-6-7-9-11-16-45(76)63-40-28-43(74)56(86-25-23-60)67-51(79)38-30-68(31-44(38)75)57(84)47(42(73)21-24-62-52(80)39(61)15-12-13-22-59)65-55(83)48(50(78)49(77)35-17-19-36(71)20-18-35)66-54(82)41-27-37(72)29-69(41)58(85)46(34(4)70)64-53(40)81/h17-20,32-34,37-44,46-50,56,70-75,77-78H,5-16,21-31,59-61H2,1-4H3,(H,62,80)(H,63,76)(H,64,81)(H,65,83)(H,66,82)(H,67,79)/t32?,33?,34-,37-,38?,39+,40?,41?,42-,43-,44+,46+,47+,48+,49+,50+,56-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289924
PNG
(1N-[21-(2-aminoethoxy)-3-[3-(1,2-diaminoethylcarbo...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CN)OCCN
Show InChI InChI=1S/C55H93N11O17/c1-5-29(2)22-30(3)12-10-8-6-7-9-11-13-42(73)60-37-24-40(71)53(83-21-19-56)64-48(76)35-27-65(28-41(35)72)54(81)44(39(70)18-20-59-49(77)36(58)25-57)62-52(80)45(47(75)46(74)32-14-16-33(68)17-15-32)63-51(79)38-23-34(69)26-66(38)55(82)43(31(4)67)61-50(37)78/h14-17,29-31,34-41,43-47,53,67-72,74-75H,5-13,18-28,56-58H2,1-4H3,(H,59,77)(H,60,73)(H,61,78)(H,62,80)(H,63,79)(H,64,76)/t29?,30?,31-,34-,35?,36+,37?,38?,39-,40-,41+,43+,44+,45+,46+,47+,53-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285488
PNG
(1N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-20...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN(C)C
Show InChI InChI=1S/C52H86N8O16/c1-7-28(2)24-29(3)14-12-10-8-9-11-13-15-39(67)53-34-26-38(66)48(72)57-50(74)43-37(65)21-23-59(43)52(76)41(36(64)20-22-58(5)6)55-49(73)42(45(69)44(68)31-16-18-32(62)19-17-31)56-47(71)35-25-33(63)27-60(35)51(75)40(30(4)61)54-46(34)70/h16-19,28-30,33-38,40-45,48,61-66,68-69,72H,7-15,20-27H2,1-6H3,(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,48-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289917
PNG
(1N-[21-(2-aminoethoxy)-3-[3-(1,3-diaminopropylcarb...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCN)OCCN
Show InChI InChI=1S/C56H95N11O17/c1-5-30(2)24-31(3)12-10-8-6-7-9-11-13-43(74)61-38-26-41(72)54(84-23-21-58)65-49(77)36-28-66(29-42(36)73)55(82)45(40(71)19-22-60-50(78)37(59)18-20-57)63-53(81)46(48(76)47(75)33-14-16-34(69)17-15-33)64-52(80)39-25-35(70)27-67(39)56(83)44(32(4)68)62-51(38)79/h14-17,30-32,35-42,44-48,54,68-73,75-76H,5-13,18-29,57-59H2,1-4H3,(H,60,78)(H,61,74)(H,62,79)(H,63,81)(H,64,80)(H,65,77)/t30?,31?,32-,35-,36?,37+,38?,39?,40-,41-,42+,44+,45+,46+,47+,48+,54-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285479
PNG
(10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydrox...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC
Show InChI InChI=1S/C51H84N8O16/c1-6-27(2)23-28(3)13-11-9-7-8-10-12-14-38(66)53-33-25-37(65)47(71)57-49(73)42-36(64)20-22-58(42)51(75)40(35(63)19-21-52-5)55-48(72)41(44(68)43(67)30-15-17-31(61)18-16-30)56-46(70)34-24-32(62)26-59(34)50(74)39(29(4)60)54-45(33)69/h15-18,27-29,32-37,39-44,47,52,60-65,67-68,71H,6-14,19-26H2,1-5H3,(H,53,66)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/t27?,28?,29-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42+,43+,44+,47-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285491
PNG
(10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydrox...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(N)=N
Show InChI InChI=1S/C51H84N10O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(68)55-32-24-36(67)46(73)59-48(75)41-35(66)19-21-60(41)50(77)39(34(65)18-20-54-51(52)53)57-47(74)40(43(70)42(69)29-14-16-30(63)17-15-29)58-45(72)33-23-31(64)25-61(33)49(76)38(28(4)62)56-44(32)71/h14-17,26-28,31-36,38-43,46,62-67,69-70,73H,5-13,18-25H2,1-4H3,(H,55,68)(H,56,71)(H,57,74)(H,58,72)(H,59,75)(H4,52,53,54)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285475
PNG
(1N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-20...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC[N+](C)(C)C
Show InChI InChI=1S/C53H88N8O16/c1-8-29(2)25-30(3)15-13-11-9-10-12-14-16-40(68)54-35-27-39(67)49(73)58-51(75)44-38(66)21-23-59(44)53(77)42(37(65)22-24-61(5,6)7)56-50(74)43(46(70)45(69)32-17-19-33(63)20-18-32)57-48(72)36-26-34(64)28-60(36)52(76)41(31(4)62)55-47(35)71/h17-20,29-31,34-39,41-46,49,62,64-67,69-70,73H,8-16,21-28H2,1-7H3,(H5-,54,55,56,57,58,63,68,71,72,74,75)/p+1/t29?,30?,31-,34-,35+,36+,37-,38+,39-,41+,42+,43+,44+,45+,46+,49-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289919
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-amino-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN
Show InChI InChI=1S/C50H82N8O16/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-38(65)52-33-22-36(63)47(71)56-44(68)32-24-57(25-37(32)64)49(73)40(35(62)18-19-51)54-48(72)41(43(67)42(66)29-14-16-30(60)17-15-29)55-46(70)34-21-31(61)23-58(34)50(74)39(28(4)59)53-45(33)69/h14-17,26-28,31-37,39-43,47,59-64,66-67,71H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,69)(H,54,72)(H,55,70)(H,56,68)/t26?,27?,28-,31-,32?,33?,34?,35-,36-,37+,39+,40+,41+,42+,43+,47-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289909
PNG
(1N-[3-[3-(1,5-diaminopentylcarboxamido)-1-hydroxyp...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCCN
Show InChI InChI=1S/C56H94N10O17/c1-5-30(2)24-31(3)14-10-8-6-7-9-11-16-43(73)60-38-26-41(71)53(80)64-49(76)36-28-65(29-42(36)72)55(82)45(40(70)21-23-59-50(77)37(58)15-12-13-22-57)62-54(81)46(48(75)47(74)33-17-19-34(68)20-18-33)63-52(79)39-25-35(69)27-66(39)56(83)44(32(4)67)61-51(38)78/h17-20,30-32,35-42,44-48,53,67-72,74-75,80H,5-16,21-29,57-58H2,1-4H3,(H,59,77)(H,60,73)(H,61,78)(H,62,81)(H,63,79)(H,64,76)/t30?,31?,32-,35-,36?,37+,38?,39?,40-,41-,42+,44+,45+,46+,47+,48+,53-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50043898
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-amino-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN
Show InChI InChI=1S/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285481
PNG
(10,12-Dimethyl-tetradecanoic acid {3-(3-amino-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CCN
Show InChI InChI=1S/C50H82N8O14/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(66)53-35-24-33(61)26-52-48(70)44-38(64)19-21-57(44)50(72)43(37(63)18-20-51)56-47(69)42(39(65)23-31-14-16-32(60)17-15-31)55-46(68)36-25-34(62)27-58(36)49(71)41(30(4)59)54-45(35)67/h14-17,28-30,33-39,41-44,59-65H,5-13,18-27,51H2,1-4H3,(H,52,70)(H,53,66)(H,54,67)(H,55,68)(H,56,69)/t28?,29?,30-,33-,34-,35+,36+,37-,38+,39-,41+,42+,43+,44+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289918
PNG
(1N-[3-(3-aminomethylcarboxamido-1-hydroxypropyl)-6...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CN
Show InChI InChI=1S/C52H85N9O17/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-39(68)55-34-22-37(66)49(75)59-46(72)33-25-60(26-38(33)67)51(77)42(36(65)18-19-54-40(69)23-53)57-50(76)43(45(71)44(70)30-14-16-31(63)17-15-30)58-48(74)35-21-32(64)24-61(35)52(78)41(29(4)62)56-47(34)73/h14-17,27-29,32-38,41-45,49,62-67,70-71,75H,5-13,18-26,53H2,1-4H3,(H,54,69)(H,55,68)(H,56,73)(H,57,76)(H,58,74)(H,59,72)/t27?,28?,29-,32-,33?,34?,35?,36-,37-,38+,41+,42+,43+,44+,45+,49-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289913
PNG
(1N-[3-[3-(4-aminobutylcarboxamido)-1-hydroxypropyl...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCCN
Show InChI InChI=1S/C55H91N9O17/c1-5-30(2)24-31(3)14-10-8-6-7-9-11-16-43(72)58-37-26-40(69)52(78)62-49(75)36-28-63(29-41(36)70)54(80)45(39(68)21-23-57-42(71)15-12-13-22-56)60-53(79)46(48(74)47(73)33-17-19-34(66)20-18-33)61-51(77)38-25-35(67)27-64(38)55(81)44(32(4)65)59-50(37)76/h17-20,30-32,35-41,44-48,52,65-70,73-74,78H,5-16,21-29,56H2,1-4H3,(H,57,71)(H,58,72)(H,59,76)(H,60,79)(H,61,77)(H,62,75)/t30?,31?,32-,35-,36?,37?,38?,39-,40-,41+,44+,45+,46+,47+,48+,52-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289920
PNG
(1N-[3-[3-(2-aminoethylcarboxamido)-1-hydroxypropyl...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCN
Show InChI InChI=1S/C53H87N9O17/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-41(70)56-35-24-38(67)50(76)60-47(73)34-26-61(27-39(34)68)52(78)43(37(66)19-21-55-40(69)18-20-54)58-51(77)44(46(72)45(71)31-14-16-32(64)17-15-31)59-49(75)36-23-33(65)25-62(36)53(79)42(30(4)63)57-48(35)74/h14-17,28-30,33-39,42-46,50,63-68,71-72,76H,5-13,18-27,54H2,1-4H3,(H,55,69)(H,56,70)(H,57,74)(H,58,77)(H,59,75)(H,60,73)/t28?,29?,30-,33-,34?,35?,36?,37-,38-,39+,42+,43+,44+,45+,46+,50-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290785
PNG
(CHEMBL406357 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc2OC(O)Cc2c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H82N8O16/c1-5-27(2)18-28(3)12-10-8-6-7-9-11-13-41(68)55-34-22-32(62)25-54-50(73)46-36(64)16-17-59(46)52(75)45(38(66)24-40(53)67)58-49(72)44(37(65)20-30-14-15-39-31(19-30)21-42(69)76-39)57-48(71)35-23-33(63)26-60(35)51(74)43(29(4)61)56-47(34)70/h14-15,19,27-29,32-38,42-46,61-66,69H,5-13,16-18,20-26H2,1-4H3,(H2,53,67)(H,54,73)(H,55,68)(H,56,70)(H,57,71)(H,58,72)/t27?,28?,29-,32-,33-,34-,35+,36+,37+,38+,42?,43+,44+,45+,46+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289911
PNG
(1N-[3-[3-(1,2-diaminoethylcarboxamido)-1-hydroxypr...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CN
Show InChI InChI=1S/C53H88N10O17/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(70)57-35-22-38(68)50(77)61-46(73)33-25-62(26-39(33)69)52(79)42(37(67)18-19-56-47(74)34(55)23-54)59-51(78)43(45(72)44(71)30-14-16-31(65)17-15-30)60-49(76)36-21-32(66)24-63(36)53(80)41(29(4)64)58-48(35)75/h14-17,27-29,32-39,41-45,50,64-69,71-72,77H,5-13,18-26,54-55H2,1-4H3,(H,56,74)(H,57,70)(H,58,75)(H,59,78)(H,60,76)(H,61,73)/t27?,28?,29-,32-,33?,34+,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,50-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290778
PNG
(CHEMBL414690 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CN)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H84N10O18/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(70)56-31-21-36(68)48(76)60-50(78)43-34(66)16-17-61(43)52(80)41(35(67)22-37(54)69)58-49(77)42(45(73)44(72)28-14-15-33(65)30(19-28)55-39(71)23-53)59-47(75)32-20-29(64)24-62(32)51(79)40(27(4)63)57-46(31)74/h14-15,19,25-27,29,31-32,34-36,40-45,48,63-68,72-73,76H,5-13,16-18,20-24,53H2,1-4H3,(H2,54,69)(H,55,71)(H,56,70)(H,57,74)(H,58,77)(H,59,75)(H,60,78)/t25?,26?,27-,29-,31-,32+,34+,35+,36-,40+,41+,42+,43+,44-,45-,48-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285478
PNG
(1N-{20-[2-(6-aminohexylcarbamoyl)-1-hydroxyethyl]-...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(=O)NCCCCCCN
Show InChI InChI=1S/C56H93N9O15/c1-5-33(2)26-34(3)16-12-8-6-7-9-13-17-45(73)60-40-28-38(68)31-59-54(78)50-42(70)22-25-64(50)56(80)49(44(72)30-46(74)58-24-15-11-10-14-23-57)63-53(77)48(43(71)27-36-18-20-37(67)21-19-36)62-52(76)41-29-39(69)32-65(41)55(79)47(35(4)66)61-51(40)75/h18-21,33-35,38-44,47-50,66-72H,5-17,22-32,57H2,1-4H3,(H,58,74)(H,59,78)(H,60,73)(H,61,75)(H,62,76)(H,63,77)/t33?,34?,35-,38-,39-,40+,41+,42+,43-,44-,47+,48+,49+,50+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290798
PNG
(CHEMBL268721 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(N)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H81N9O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(67)53-30-21-35(65)46(72)57-48(74)41-33(63)16-17-58(41)50(76)39(34(64)22-36(52)66)55-47(73)40(43(69)42(68)27-14-15-32(62)29(51)19-27)56-45(71)31-20-28(61)23-59(31)49(75)38(26(4)60)54-44(30)70/h14-15,19,24-26,28,30-31,33-35,38-43,46,60-65,68-69,72H,5-13,16-18,20-23,51H2,1-4H3,(H2,52,66)(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289915
PNG
(1N-[3-[3-(3-aminopropylcarboxamido)-1-hydroxypropy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCN
Show InChI InChI=1S/C54H89N9O17/c1-5-29(2)23-30(3)13-10-8-6-7-9-11-14-42(71)57-36-25-39(68)51(77)61-48(74)35-27-62(28-40(35)69)53(79)44(38(67)20-22-56-41(70)15-12-21-55)59-52(78)45(47(73)46(72)32-16-18-33(65)19-17-32)60-50(76)37-24-34(66)26-63(37)54(80)43(31(4)64)58-49(36)75/h16-19,29-31,34-40,43-47,51,64-69,72-73,77H,5-15,20-28,55H2,1-4H3,(H,56,70)(H,57,71)(H,58,75)(H,59,78)(H,60,76)(H,61,74)/t29?,30?,31-,34-,35?,36?,37?,38-,39-,40+,43+,44+,45+,46+,47+,51-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290784
PNG
(CHEMBL413522 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(N)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H81N9O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)54-33-21-30(61)24-53-48(72)44-36(64)16-17-58(44)50(74)43(38(66)23-39(52)67)57-47(71)42(37(65)20-29-14-15-35(63)32(51)19-29)56-46(70)34-22-31(62)25-59(34)49(73)41(28(4)60)55-45(33)69/h14-15,19,26-28,30-31,33-34,36-38,41-44,60-66H,5-13,16-18,20-25,51H2,1-4H3,(H2,52,67)(H,53,72)(H,54,68)(H,55,69)(H,56,70)(H,57,71)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289912
PNG
(1N-[3-[3-(1,3-diaminopropylcarboxamido)-1-hydroxyp...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCN
Show InChI InChI=1S/C54H90N10O17/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-41(71)58-36-24-39(69)51(78)62-47(74)34-26-63(27-40(34)70)53(80)43(38(68)19-21-57-48(75)35(56)18-20-55)60-52(79)44(46(73)45(72)31-14-16-32(66)17-15-31)61-50(77)37-23-33(67)25-64(37)54(81)42(30(4)65)59-49(36)76/h14-17,28-30,33-40,42-46,51,65-70,72-73,78H,5-13,18-27,55-56H2,1-4H3,(H,57,75)(H,58,71)(H,59,76)(H,60,79)(H,61,77)(H,62,74)/t28?,29?,30-,33-,34?,35+,36?,37?,38-,39-,40+,42+,43+,44+,45+,46+,51-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290792
PNG
(CHEMBL441213 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(CCO)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H84N8O16/c1-5-28(2)20-29(3)12-10-8-6-7-9-11-13-42(70)55-35-23-33(63)26-54-50(74)46-38(66)16-18-59(46)52(76)45(40(68)25-41(53)69)58-49(73)44(39(67)22-31-14-15-37(65)32(21-31)17-19-61)57-48(72)36-24-34(64)27-60(36)51(75)43(30(4)62)56-47(35)71/h14-15,21,28-30,33-36,38-40,43-46,61-68H,5-13,16-20,22-27H2,1-4H3,(H2,53,69)(H,54,74)(H,55,70)(H,56,71)(H,57,72)(H,58,73)/t28?,29?,30-,33-,34-,35-,36+,38+,39+,40+,43+,44+,45+,46+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50043897
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285493
PNG
(10,12-Dimethyl-tetradecanoic acid {3-(2-carbamoyl-...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(67)53-34-22-32(61)25-52-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-39(51)66)56-47(70)42(37(64)21-30-14-16-31(60)17-15-30)55-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)54-45(34)68/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,66)(H,52,71)(H,53,67)(H,54,68)(H,55,69)(H,56,70)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290777
PNG
(CHEMBL428264 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)cc1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(67)53-34-22-32(61)25-52-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-39(51)66)56-47(70)42(37(64)21-30-14-16-31(60)17-15-30)55-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)54-45(34)68/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,66)(H,52,71)(H,53,67)(H,54,68)(H,55,69)(H,56,70)/t27?,28?,29-,32-,33-,34-,35+,36+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290797
PNG
(CHEMBL267988 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)cc1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31-,32+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290803
PNG
(CHEMBL407395 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CCN)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C53H86N10O18/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-39(71)57-32-23-37(69)49(77)61-51(79)44-35(67)17-19-62(44)53(81)42(36(68)24-38(55)70)59-50(78)43(46(74)45(73)29-14-15-34(66)31(21-29)56-40(72)16-18-54)60-48(76)33-22-30(65)25-63(33)52(80)41(28(4)64)58-47(32)75/h14-15,21,26-28,30,32-33,35-37,41-46,49,64-69,73-74,77H,5-13,16-20,22-25,54H2,1-4H3,(H2,55,70)(H,56,72)(H,57,71)(H,58,75)(H,59,78)(H,60,76)(H,61,79)/t26?,27?,28-,30-,32-,33+,35+,36+,37-,41+,42+,43+,44+,45-,46-,49-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290793
PNG
(CHEMBL410837 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(C=C)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H82N8O15/c1-6-28(3)20-29(4)14-12-10-8-9-11-13-15-42(69)55-35-23-33(62)26-54-50(73)46-38(65)18-19-59(46)52(75)45(40(67)25-41(53)68)58-49(72)44(39(66)22-31-16-17-37(64)32(7-2)21-31)57-48(71)36-24-34(63)27-60(36)51(74)43(30(5)61)56-47(35)70/h7,16-17,21,28-30,33-36,38-40,43-46,61-67H,2,6,8-15,18-20,22-27H2,1,3-5H3,(H2,53,68)(H,54,73)(H,55,69)(H,56,70)(H,57,71)(H,58,72)/t28?,29?,30-,33-,34-,35-,36+,38+,39+,40+,43+,44+,45+,46+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285476
PNG
(10,12-Dimethyl-tetradecanoic acid {11,20,25-trihyd...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(=O)NO
Show InChI InChI=1S/C50H80N8O16/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-39(66)52-34-22-32(61)25-51-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-40(67)56-74)55-47(70)42(37(64)21-30-14-16-31(60)17-15-30)54-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)53-45(34)68/h14-17,27-29,32-38,41-44,59-65,74H,5-13,18-26H2,1-4H3,(H,51,71)(H,52,66)(H,53,68)(H,54,69)(H,55,70)(H,56,67)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290796
PNG
(CHEMBL439260 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(C)=O)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H83N9O18/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-39(70)55-32-22-37(68)48(75)59-50(77)43-35(66)17-18-60(43)52(79)41(36(67)23-38(53)69)57-49(76)42(45(72)44(71)29-15-16-34(65)31(20-29)54-28(5)63)58-47(74)33-21-30(64)24-61(33)51(78)40(27(4)62)56-46(32)73/h15-16,20,25-27,30,32-33,35-37,40-45,48,62,64-68,71-72,75H,6-14,17-19,21-24H2,1-5H3,(H2,53,69)(H,54,63)(H,55,70)(H,56,73)(H,57,76)(H,58,74)(H,59,77)/t25?,26?,27-,30-,32-,33+,35+,36+,37-,40+,41+,42+,43+,44-,45-,48-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50289916
PNG
(1N-[3-[3-(5-aminopentylcarboxamido)-1-hydroxypropy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCCCN
Show InChI InChI=1S/C56H93N9O17/c1-5-31(2)25-32(3)15-11-8-6-7-9-12-17-44(73)59-38-27-41(70)53(79)63-50(76)37-29-64(30-42(37)71)55(81)46(40(69)22-24-58-43(72)16-13-10-14-23-57)61-54(80)47(49(75)48(74)34-18-20-35(67)21-19-34)62-52(78)39-26-36(68)28-65(39)56(82)45(33(4)66)60-51(38)77/h18-21,31-33,36-42,45-49,53,66-71,74-75,79H,5-17,22-30,57H2,1-4H3,(H,58,72)(H,59,73)(H,60,77)(H,61,80)(H,62,78)(H,63,76)/t31?,32?,33-,36-,37?,38?,39?,40-,41-,42+,45+,46+,47+,48+,49+,53-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase


Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285489
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(2-cyano-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC#N
Show InChI InChI=1S/C50H78N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-19,21-25H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285480
PNG
(10,12-Dimethyl-tetradecanoic acid {3-(2-cyano-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC#N
Show InChI InChI=1S/C50H78N8O14/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(66)53-35-24-33(61)26-52-48(70)44-38(64)19-21-57(44)50(72)43(37(63)18-20-51)56-47(69)42(39(65)23-31-14-16-32(60)17-15-31)55-46(68)36-25-34(62)27-58(36)49(71)41(30(4)59)54-45(35)67/h14-17,28-30,33-39,41-44,59-65H,5-13,18-19,21-27H2,1-4H3,(H,52,70)(H,53,66)(H,54,67)(H,55,68)(H,56,69)/t28?,29?,30-,33-,34-,35+,36+,37-,38+,39-,41+,42+,43+,44+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290791
PNG
(CHEMBL408285 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(O)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O16/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)53-32-21-30(60)24-52-48(72)44-35(63)16-17-57(44)50(74)43(38(66)23-39(51)67)56-47(71)42(37(65)20-29-14-15-34(62)36(64)19-29)55-46(70)33-22-31(61)25-58(33)49(73)41(28(4)59)54-45(32)69/h14-15,19,26-28,30-33,35,37-38,41-44,59-66H,5-13,16-18,20-25H2,1-4H3,(H2,51,67)(H,52,72)(H,53,68)(H,54,69)(H,55,70)(H,56,71)/t26?,27?,28-,30-,31-,32-,33+,35+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290801
PNG
(CHEMBL384968 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(I)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79IN8O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(67)53-30-21-35(65)46(72)57-48(74)41-33(63)16-17-58(41)50(76)39(34(64)22-36(52)66)55-47(73)40(43(69)42(68)27-14-15-32(62)29(51)19-27)56-45(71)31-20-28(61)23-59(31)49(75)38(26(4)60)54-44(30)70/h14-15,19,24-26,28,30-31,33-35,38-43,46,60-65,68-69,72H,5-13,16-18,20-23H2,1-4H3,(H2,52,66)(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290775
PNG
(CHEMBL415669 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(I)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79IN8O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)54-33-21-30(61)24-53-48(72)44-36(64)16-17-58(44)50(74)43(38(66)23-39(52)67)57-47(71)42(37(65)20-29-14-15-35(63)32(51)19-29)56-46(70)34-22-31(62)25-59(34)49(73)41(28(4)60)55-45(33)69/h14-15,19,26-28,30-31,33-34,36-38,41-44,60-66H,5-13,16-18,20-25H2,1-4H3,(H2,52,67)(H,53,72)(H,54,68)(H,55,69)(H,56,70)(H,57,71)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285490
PNG
(10,12-Dimethyl-tetradecanoic acid {3-(2-hydrazinoc...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(=O)NN
Show InChI InChI=1S/C50H81N9O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-39(67)53-34-22-32(62)25-52-48(72)44-36(64)18-19-58(44)50(74)43(38(66)24-40(68)57-51)56-47(71)42(37(65)21-30-14-16-31(61)17-15-30)55-46(70)35-23-33(63)26-59(35)49(73)41(29(4)60)54-45(34)69/h14-17,27-29,32-38,41-44,60-66H,5-13,18-26,51H2,1-4H3,(H,52,72)(H,53,67)(H,54,69)(H,55,70)(H,56,71)(H,57,68)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285485
PNG
(10,12-Dimethyl-tetradecanoic acid [11,20,25-trihyd...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(N)=S
Show InChI InChI=1S/C50H80N8O14S/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(66)53-34-22-32(61)25-52-48(70)44-36(63)18-19-57(44)50(72)43(38(65)24-39(51)73)56-47(69)42(37(64)21-30-14-16-31(60)17-15-30)55-46(68)35-23-33(62)26-58(35)49(71)41(29(4)59)54-45(34)67/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,73)(H,52,70)(H,53,66)(H,54,67)(H,55,68)(H,56,69)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290782
PNG
(CHEMBL385665 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(CC=C)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C53H84N8O15/c1-6-14-33-22-32(17-18-38(33)65)23-40(67)45-50(73)59-46(41(68)26-42(54)69)53(76)60-20-19-39(66)47(60)51(74)55-27-34(63)24-36(56-43(70)16-13-11-9-8-10-12-15-30(4)21-29(3)7-2)48(71)57-44(31(5)62)52(75)61-28-35(64)25-37(61)49(72)58-45/h6,17-18,22,29-31,34-37,39-41,44-47,62-68H,1,7-16,19-21,23-28H2,2-5H3,(H2,54,69)(H,55,74)(H,56,70)(H,57,71)(H,58,72)(H,59,73)/t29?,30?,31-,34-,35-,36-,37+,39+,40+,41+,44+,45+,46+,47+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290780
PNG
(CHEMBL412195 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CCC(O)=O)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C54H85N9O20/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-39(71)57-32-23-37(69)50(79)61-52(81)45-35(67)18-19-62(45)54(83)43(36(68)24-38(55)70)59-51(80)44(47(76)46(75)29-14-15-34(66)31(21-29)56-40(72)16-17-41(73)74)60-49(78)33-22-30(65)25-63(33)53(82)42(28(4)64)58-48(32)77/h14-15,21,26-28,30,32-33,35-37,42-47,50,64-69,75-76,79H,5-13,16-20,22-25H2,1-4H3,(H2,55,70)(H,56,72)(H,57,71)(H,58,77)(H,59,80)(H,60,78)(H,61,81)(H,73,74)/t26?,27?,28-,30-,32-,33+,35+,36+,37-,42+,43+,44+,45+,46-,47-,50-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290788
PNG
(CHEMBL438185 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(\C=C\C(=O)OC)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C54H84N8O17/c1-6-29(2)21-30(3)13-11-9-7-8-10-12-14-43(71)57-36-24-34(64)27-56-52(76)48-39(67)19-20-61(48)54(78)47(41(69)26-42(55)70)60-51(75)46(40(68)23-32-15-17-38(66)33(22-32)16-18-44(72)79-5)59-50(74)37-25-35(65)28-62(37)53(77)45(31(4)63)58-49(36)73/h15-18,22,29-31,34-37,39-41,45-48,63-69H,6-14,19-21,23-28H2,1-5H3,(H2,55,70)(H,56,76)(H,57,71)(H,58,73)(H,59,74)(H,60,75)/b18-16+/t29?,30?,31-,34-,35-,36-,37+,39+,40+,41+,45+,46+,47+,48+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285487
PNG
(3-{18-(10,12-Dimethyl-tetradecanoylamino)-11,20,25...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CC(=O)OC
Show InChI InChI=1S/C51H81N7O16/c1-6-28(2)21-29(3)13-11-9-7-8-10-12-14-40(66)53-35-23-33(61)26-52-49(71)45-37(63)19-20-57(45)51(73)44(39(65)25-41(67)74-5)56-48(70)43(38(64)22-31-15-17-32(60)18-16-31)55-47(69)36-24-34(62)27-58(36)50(72)42(30(4)59)54-46(35)68/h15-18,28-30,33-39,42-45,59-65H,6-14,19-27H2,1-5H3,(H,52,71)(H,53,66)(H,54,68)(H,55,69)(H,56,70)/t28?,29?,30-,33-,34-,35+,36+,37+,38-,39-,42+,43+,44+,45+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290789
PNG
(CHEMBL408469 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(c1)N=[N+]=[N-])[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79N11O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(69)53-30-21-35(67)46(74)57-48(76)41-33(65)16-17-60(41)50(78)39(34(66)22-36(51)68)55-47(75)40(43(71)42(70)27-14-15-32(64)29(19-27)58-59-52)56-45(73)31-20-28(63)23-61(31)49(77)38(26(4)62)54-44(30)72/h14-15,19,24-26,28,30-31,33-35,38-43,46,62-67,70-71,74H,5-13,16-18,20-23H2,1-4H3,(H2,51,68)(H,53,69)(H,54,72)(H,55,75)(H,56,73)(H,57,76)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285492
PNG
(1N-[20-[3-di(cyanomethyl)amino-1-hydroxypropyl]-23...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN(CC#N)CC#N
Show InChI InChI=1S/C54H84N10O16/c1-5-30(2)26-31(3)12-10-8-6-7-9-11-13-41(71)57-36-28-40(70)50(76)61-52(78)45-39(69)19-23-63(45)54(80)43(38(68)18-22-62(24-20-55)25-21-56)59-51(77)44(47(73)46(72)33-14-16-34(66)17-15-33)60-49(75)37-27-35(67)29-64(37)53(79)42(32(4)65)58-48(36)74/h14-17,30-32,35-40,42-47,50,65-70,72-73,76H,5-13,18-19,22-29H2,1-4H3,(H,57,71)(H,58,74)(H,59,77)(H,60,75)(H,61,78)/t30?,31?,32-,35-,36+,37+,38-,39+,40-,42+,43+,44+,45+,46+,47+,50-/m1/s1
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n/an/a>200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290783
PNG
(CHEMBL386826 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(c1)N=[N+]=[N-])[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79N11O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(70)54-33-21-30(63)24-53-48(74)44-36(66)16-17-60(44)50(76)43(38(68)23-39(51)69)57-47(73)42(37(67)20-29-14-15-35(65)32(19-29)58-59-52)56-46(72)34-22-31(64)25-61(34)49(75)41(28(4)62)55-45(33)71/h14-15,19,26-28,30-31,33-34,36-38,41-44,62-68H,5-13,16-18,20-25H2,1-4H3,(H2,51,69)(H,53,74)(H,54,70)(H,55,71)(H,56,72)(H,57,73)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285484
PNG
(10,12-Dimethyl-tetradecanoic acid {3-(1,3-dihydrox...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)[C@H](O)CCO
Show InChI InChI=1S/C50H81N7O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(66)52-35-24-33(61)26-51-48(70)44-38(64)18-20-56(44)50(72)43(37(63)19-21-58)55-47(69)42(39(65)23-31-14-16-32(60)17-15-31)54-46(68)36-25-34(62)27-57(36)49(71)41(30(4)59)53-45(35)67/h14-17,28-30,33-39,41-44,58-65H,5-13,18-27H2,1-4H3,(H,51,70)(H,52,66)(H,53,67)(H,54,68)(H,55,69)/t28?,29?,30-,33-,34-,35+,36+,37-,38+,39-,41+,42+,43+,44+/m1/s1
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Article
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
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