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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100337
PNG
(CHEMBL2371766 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55+,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100338
PNG
(CHEMBL267407 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58-,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100332
PNG
(CHEMBL415843 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58+,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100333
PNG
(CHEMBL2371765 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55-,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.630n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100329
PNG
(CHEMBL2371727 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](N)CCCN)C(=O)O1
Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52+,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.830n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100331
PNG
(CHEMBL2371715 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](N)CCCN)C(=O)O1
Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52-,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.890n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100335
PNG
(CHEMBL2371681 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C82H141N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-54-41-62(111)92-65(47(5)102)75(117)89-46(4)71(113)91-56(39-51-25-27-52(106)28-26-51)72(114)94-64(45(2)3)80(122)101-44-53(107)40-58(101)73(115)95-67(49(7)104)77(119)96-68(50(8)105)81(123)100-35-29-59(108)70(100)78(120)97-69(60(109)42-61(87)110)74(116)88-43-63(112)93-66(48(6)103)76(118)90-55(82(124)125-54)23-21-34-99(38-33-86)79(121)57(24-20-30-83)98(36-31-84)37-32-85/h25-28,45-50,53-60,64-70,102-109H,9-24,29-44,83-86H2,1-8H3,(H2,87,110)(H,88,116)(H,89,117)(H,90,118)(H,91,113)(H,92,111)(H,93,112)(H,94,114)(H,95,115)(H,96,119)(H,97,120)/t46-,47-,48-,49-,50-,53-,54-,55+,56+,57+,58+,59+,60-,64+,65+,66+,67+,68+,69+,70+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
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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Article
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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50366679
PNG
(CHEMBL1793852 | MK-991)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=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/C52H88N10O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(69)56-35-25-39(68)46(55-21-20-54)60-49(74)37-24-34(66)27-62(37)52(77)42(38(67)18-19-53)58-50(75)43(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)36-23-33(65)26-61(36)51(76)41(30(4)63)57-47(35)72/h14-17,28-30,33-39,41-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,75)(H,59,73)(H,60,74)/t28?,29?,30-,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+,44+,45+,46+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100336
PNG
(CHEMBL405487 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C75H126N16O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-49-36-56(101)83-59(42(5)92)69(107)80-41(4)65(103)82-51(34-46-23-25-47(96)26-24-46)66(104)85-58(40(2)3)73(111)91-39-48(97)35-52(91)67(105)86-61(44(7)94)71(109)87-62(45(8)95)74(112)90-31-27-53(98)64(90)72(110)88-63(54(99)37-55(78)100)68(106)79-38-57(102)84-60(43(6)93)70(108)81-50(75(113)114-49)22-20-30-89(32-28-76)33-29-77/h23-26,40-45,48-54,58-64,92-99H,9-22,27-39,76-77H2,1-8H3,(H2,78,100)(H,79,106)(H,80,107)(H,81,108)(H,82,103)(H,83,101)(H,84,102)(H,85,104)(H,86,105)(H,87,109)(H,88,110)/t41-,42-,43-,44-,45-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096797
PNG
(CHEMBL2370665 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1
Show InChI InChI=1S/C75H126N16O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-49-36-56(101)83-59(42(5)92)69(107)80-41(4)65(103)82-51(34-46-23-25-47(96)26-24-46)66(104)85-58(40(2)3)73(111)91-39-48(97)35-52(91)67(105)86-61(44(7)94)71(109)87-62(45(8)95)74(112)90-31-27-53(98)64(90)72(110)88-63(54(99)37-55(78)100)68(106)79-38-57(102)84-60(43(6)93)70(108)81-50(75(113)114-49)22-20-30-89(32-28-76)33-29-77/h23-26,40-45,48-54,58-64,92-99H,9-22,27-39,76-77H2,1-8H3,(H2,78,100)(H,79,106)(H,80,107)(H,81,108)(H,82,103)(H,83,101)(H,84,102)(H,85,104)(H,86,105)(H,87,109)(H,88,110)/t41-,42-,43-,44-,45-,48-,49-,50+,51+,52+,53+,54-,58+,59+,60-,61+,62+,63+,64+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100334
PNG
(CHEMBL407924 | RO-09-3655 derivative)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](N)CCCN)C(=O)O1
Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

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
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)

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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096796
PNG
(CHEMBL2370667 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCO)C(=O)O1
Show InChI InChI=1S/C71H115N13O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)77-55(38(5)86)65(101)74-37(4)61(97)76-47(30-42-23-25-43(90)26-24-42)62(98)79-54(36(2)3)69(105)84-35-44(91)31-48(84)63(99)80-57(40(7)88)67(103)81-58(41(8)89)70(106)83-28-27-49(92)60(83)68(104)82-59(50(93)33-51(72)94)64(100)73-34-53(96)78-56(39(6)87)66(102)75-46(22-20-29-85)71(107)108-45/h23-26,36-41,44-50,54-60,85-93H,9-22,27-35H2,1-8H3,(H2,72,94)(H,73,100)(H,74,101)(H,75,102)(H,76,97)(H,77,95)(H,78,96)(H,79,98)(H,80,99)(H,81,103)(H,82,104)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55+,56+,57+,58+,59+,60+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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)

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)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096795
PNG
(CHEMBL2370654 | Macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCCNC(=O)C(N)CCCN)C(=O)O1
Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49?,50-,51+,52+,53+,54-,58+,59+,60+,61+,62+,63+,64+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100339
PNG
(CHEMBL438198 | FR-901469 | FR901469 | Lipopeptidol...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
Show InChI InChI=1S/C71H116N14O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

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)

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
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)

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
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)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096798
PNG
(CHEMBL2370655 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O1
Show InChI InChI=1S/C76H124N14O25/c1-12-13-14-15-16-17-18-19-20-21-22-24-48-35-55(100)83-58(41(5)91)68(106)80-40(4)64(102)82-50(33-45-26-28-46(95)29-27-45)65(103)85-57(39(2)3)72(110)90-38-47(96)34-51(90)66(104)86-60(43(7)93)70(108)87-61(44(8)94)73(111)89-32-30-52(97)63(89)71(109)88-62(53(98)36-54(77)99)67(105)79-37-56(101)84-59(42(6)92)69(107)81-49(74(112)114-48)25-23-31-78-75(113)115-76(9,10)11/h26-29,39-44,47-53,57-63,91-98H,12-25,30-38H2,1-11H3,(H2,77,99)(H,78,113)(H,79,105)(H,80,106)(H,81,107)(H,82,102)(H,83,100)(H,84,101)(H,85,103)(H,86,104)(H,87,108)(H,88,109)/t40-,41-,42-,43-,44-,47-,48-,49+,50+,51+,52+,53-,57+,58+,59+,60+,61+,62+,63+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50100330
PNG
(CHEMBL413199 | LY-303366 | LY-303366 derivative)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)C2[C@@H](OC)[C@H](CN2C(=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](C)O)OC
Show InChI InChI=1S/C59H75N7O18/c1-6-7-8-25-84-40-23-19-35(20-24-40)33-11-9-32(10-12-33)34-13-15-37(16-14-34)52(74)60-41-27-43(71)55(77)64-57(79)48-51(83-5)44(82-4)29-66(48)59(81)46(31(3)68)62-56(78)47(50(73)49(72)36-17-21-38(69)22-18-36)63-54(76)42-26-39(70)28-65(42)58(80)45(30(2)67)61-53(41)75/h9-24,30-31,39,41-51,55,67-73,77H,6-8,25-29H2,1-5H3,(H,60,74)(H,61,75)(H,62,78)(H,63,76)(H,64,79)/t30-,31-,39-,41-,42+,43-,44+,45+,46+,47+,48?,49+,50+,51+,55-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase


Bioorg Med Chem Lett 11: 1273-6 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096793
PNG
(CHEMBL2370666 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)O1
Show InChI InChI=1S/C70H116N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-45-33-51(93)77-54(38(5)85)64(99)74-37(4)60(95)76-47(31-42-21-23-43(89)24-22-42)61(96)79-53(36(2)3)68(103)84-35-44(90)32-48(84)62(97)80-56(40(7)87)66(101)81-57(41(8)88)69(104)83-30-27-50(92)59(83)67(102)82-58(49(91)26-29-72)63(98)73-34-52(94)78-55(39(6)86)65(100)75-46(25-28-71)70(105)106-45/h21-24,36-41,44-50,53-59,85-92H,9-20,25-35,71-72H2,1-8H3,(H,73,98)(H,74,99)(H,75,100)(H,76,95)(H,77,93)(H,78,94)(H,79,96)(H,80,97)(H,81,101)(H,82,102)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,53+,54+,55+,56+,57+,58+,59+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50451308
PNG
(CHEMBL2370657)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC#N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)O1
Show InChI InChI=1S/C70H112N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-45-33-51(93)77-54(38(5)85)64(99)74-37(4)60(95)76-47(31-42-21-23-43(89)24-22-42)61(96)79-53(36(2)3)68(103)84-35-44(90)32-48(84)62(97)80-56(40(7)87)66(101)81-57(41(8)88)69(104)83-30-27-50(92)59(83)67(102)82-58(49(91)26-29-72)63(98)73-34-52(94)78-55(39(6)86)65(100)75-46(25-28-71)70(105)106-45/h21-24,36-41,44-50,53-59,85-92H,9-20,25-28,30-35,71H2,1-8H3,(H,73,98)(H,74,99)(H,75,100)(H,76,95)(H,77,93)(H,78,94)(H,79,96)(H,80,97)(H,81,101)(H,82,102)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,53+,54+,55+,56+,57+,58+,59+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096800
PNG
(CHEMBL2370652 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)CN)C(=O)O1
Show InChI InChI=1S/C73H119N15O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-46-32-53(98)81-57(39(5)89)67(105)78-38(4)63(101)80-48(30-43-23-25-44(93)26-24-43)64(102)83-56(37(2)3)71(109)88-36-45(94)31-49(88)65(103)84-59(41(7)91)69(107)85-60(42(8)92)72(110)87-29-27-50(95)62(87)70(108)86-61(51(96)33-52(75)97)66(104)77-35-55(100)82-58(40(6)90)68(106)79-47(73(111)112-46)22-20-28-76-54(99)34-74/h23-26,37-42,45-51,56-62,89-96H,9-22,27-36,74H2,1-8H3,(H2,75,97)(H,76,99)(H,77,104)(H,78,105)(H,79,106)(H,80,101)(H,81,98)(H,82,100)(H,83,102)(H,84,103)(H,85,107)(H,86,108)/t38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50+,51-,56+,57+,58-,59+,60+,61+,62+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096794
PNG
(CHEMBL2370668 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
Show InChI InChI=1S/C72H118N14O23/c1-10-11-12-13-14-15-16-17-18-19-20-22-46-33-53(95)79-56(39(5)87)66(101)76-38(4)62(97)78-48(31-43-24-26-45(108-9)27-25-43)63(98)81-55(37(2)3)70(105)86-36-44(91)32-49(86)64(99)82-58(41(7)89)68(103)83-59(42(8)90)71(106)85-30-28-50(92)61(85)69(104)84-60(51(93)34-52(74)94)65(100)75-35-54(96)80-57(40(6)88)67(102)77-47(23-21-29-73)72(107)109-46/h24-27,37-42,44,46-51,55-61,87-93H,10-23,28-36,73H2,1-9H3,(H2,74,94)(H,75,100)(H,76,101)(H,77,102)(H,78,97)(H,79,95)(H,80,96)(H,81,98)(H,82,99)(H,83,103)(H,84,104)/t38-,39-,40-,41-,42-,44-,46-,47+,48+,49+,50+,51-,55+,56+,57+,58+,59+,60+,61+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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
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)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096799
PNG
(CHEMBL2369134 | macrocyclic lipopeptidolactone der...)
Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)C(N)CCCN)C(=O)O1
Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49?,50+,51+,52+,53+,54-,58+,59+,60+,61+,62+,63+,64+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans


Bioorg Med Chem Lett 11: 395-8 (2001)

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
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)

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)

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)

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
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)

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)

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)

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)

More data for this
Ligand-Target Pair
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