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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 50002789   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,3-beta-glucan synthase


(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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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


(Candida glabrata)
BDBM50289921
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-acetylamin...)
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(C)=O
Show InChI InChI=1S/C52H84N8O17/c1-6-27(2)21-28(3)13-11-9-7-8-10-12-14-40(68)54-35-23-38(66)49(74)58-46(71)34-25-59(26-39(34)67)51(76)42(37(65)19-20-53-30(5)62)56-50(75)43(45(70)44(69)31-15-17-32(63)18-16-31)57-48(73)36-22-33(64)24-60(36)52(77)41(29(4)61)55-47(35)72/h15-18,27-29,33-39,41-45,49,61,63-67,69-70,74H,6-14,19-26H2,1-5H3,(H,53,62)(H,54,68)(H,55,72)(H,56,75)(H,57,73)(H,58,71)/t27?,28?,29-,33-,34?,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,49-/m1/s1
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n/an/a 300n/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)

More data for this
Ligand-Target Pair