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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Glucan Synthase' AND taxid = 5476   
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

GoogleScholar
AffyNet 
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
AffyNet 
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
AffyNet 
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
AffyNet 
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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
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

Similars

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
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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
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
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
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
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
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
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
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
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
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
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))
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))
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
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))
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))
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
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096802
PNG
(CHEMBL2370656 | 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(OCc3ccccc3)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/C78H122N14O23/c1-9-10-11-12-13-14-15-16-17-18-22-26-52-37-59(101)85-62(44(5)93)72(107)82-43(4)68(103)84-54(35-48-28-30-51(31-29-48)114-41-49-24-20-19-21-25-49)69(104)87-61(42(2)3)76(111)92-40-50(97)36-55(92)70(105)88-64(46(7)95)74(109)89-65(47(8)96)77(112)91-34-32-56(98)67(91)75(110)90-66(57(99)38-58(80)100)71(106)81-39-60(102)86-63(45(6)94)73(108)83-53(27-23-33-79)78(113)115-52/h19-21,24-25,28-31,42-47,50,52-57,61-67,93-99H,9-18,22-23,26-27,32-41,79H2,1-8H3,(H2,80,100)(H,81,106)(H,82,107)(H,83,108)(H,84,103)(H,85,101)(H,86,102)(H,87,104)(H,88,105)(H,89,109)(H,90,110)/t43-,44+,45-,46-,47-,50-,52-,53+,54+,55+,56+,57-,61+,62+,63+,64-,65+,66+,67+/m1/s1
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n/an/a>130n/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))
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)

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)

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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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)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50096801
PNG
(CHEMBL2370651 | 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(C)=O)C(=O)O1
Show InChI InChI=1S/C73H118N14O24/c1-10-11-12-13-14-15-16-17-18-19-20-22-47-33-54(98)80-57(39(5)88)67(104)77-38(4)63(100)79-49(31-44-24-26-45(93)27-25-44)64(101)82-56(37(2)3)71(108)87-36-46(94)32-50(87)65(102)83-59(41(7)90)69(106)84-60(42(8)91)72(109)86-30-28-51(95)62(86)70(107)85-61(52(96)34-53(74)97)66(103)76-35-55(99)81-58(40(6)89)68(105)78-48(73(110)111-47)23-21-29-75-43(9)92/h24-27,37-42,46-52,56-62,88-91,93-96H,10-23,28-36H2,1-9H3,(H2,74,97)(H,75,92)(H,76,103)(H,77,104)(H,78,105)(H,79,100)(H,80,98)(H,81,99)(H,82,101)(H,83,102)(H,84,106)(H,85,107)/t38-,39+,40-,41-,42-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1
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n/an/a 230n/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))
BDBM50285486
PNG
(1N-{20-[2-(5-carboxymethylcarbamoyl)-1-hydroxyethy...)
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)NCCCCCC(=O)OC
Show InChI InChI=1S/C57H92N8O17/c1-6-33(2)26-34(3)16-12-9-7-8-10-13-17-45(73)60-40-28-38(68)31-59-55(79)51-42(70)23-25-64(51)57(81)50(44(72)30-46(74)58-24-15-11-14-18-47(75)82-5)63-54(78)49(43(71)27-36-19-21-37(67)22-20-36)62-53(77)41-29-39(69)32-65(41)56(80)48(35(4)66)61-52(40)76/h19-22,33-35,38-44,48-51,66-72H,6-18,23-32H2,1-5H3,(H,58,74)(H,59,79)(H,60,73)(H,61,76)(H,62,77)(H,63,78)/t33?,34?,35-,38-,39-,40+,41+,42+,43-,44-,48+,49+,50+,51+/m1/s1
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n/an/a 250n/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))
BDBM50285483
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-acetylamin...)
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(C)=O
Show InChI InChI=1S/C52H84N8O17/c1-6-27(2)23-28(3)13-11-9-7-8-10-12-14-39(68)54-34-25-38(67)48(73)58-50(75)43-37(66)20-22-59(43)52(77)41(36(65)19-21-53-30(5)62)56-49(74)42(45(70)44(69)31-15-17-32(63)18-16-31)57-47(72)35-24-33(64)26-60(35)51(76)40(29(4)61)55-46(34)71/h15-18,27-29,33-38,40-45,48,61,63-67,69-70,73H,6-14,19-26H2,1-5H3,(H,53,62)(H,54,68)(H,55,71)(H,56,74)(H,57,72)(H,58,75)/t27?,28?,29-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,48-/m1/s1
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n/an/a 300n/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))
BDBM50285482
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)=O
Show InChI InChI=1S/C50H79N7O16/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-39(65)52-34-22-32(60)25-51-48(71)44-36(62)18-19-56(44)50(73)43(38(64)24-40(66)67)55-47(70)42(37(63)21-30-14-16-31(59)17-15-30)54-46(69)35-23-33(61)26-57(35)49(72)41(29(4)58)53-45(34)68/h14-17,27-29,32-38,41-44,58-64H,5-13,18-26H2,1-4H3,(H,51,71)(H,52,65)(H,53,68)(H,54,69)(H,55,70)(H,66,67)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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n/an/a 400n/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))
BDBM50096803
PNG
(CHEMBL2370664 | 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(C)C)C(=O)O1
Show InChI InChI=1S/C73H120N14O23/c1-11-12-13-14-15-16-17-18-19-20-21-23-47-34-54(97)79-57(40(5)88)67(103)76-39(4)63(99)78-49(32-44-25-27-45(92)28-26-44)64(100)81-56(38(2)3)71(107)87-37-46(93)33-50(87)65(101)82-59(42(7)90)69(105)83-60(43(8)91)72(108)86-31-29-51(94)62(86)70(106)84-61(52(95)35-53(74)96)66(102)75-36-55(98)80-58(41(6)89)68(104)77-48(73(109)110-47)24-22-30-85(9)10/h25-28,38-43,46-52,56-62,88-95H,11-24,29-37H2,1-10H3,(H2,74,96)(H,75,102)(H,76,103)(H,77,104)(H,78,99)(H,79,97)(H,80,98)(H,81,100)(H,82,101)(H,83,105)(H,84,106)/t39-,40-,41-,42-,43-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1
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n/an/a>520n/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))
BDBM50285477
PNG
(1N-{20-[2-(5-carboxycarbamoyl)-1-hydroxyethyl]-2,1...)
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)NCCCCCC(O)=O
Show InChI InChI=1S/C56H90N8O17/c1-5-32(2)25-33(3)15-11-8-6-7-9-12-16-44(72)59-39-27-37(67)30-58-54(79)50-41(69)22-24-63(50)56(81)49(43(71)29-45(73)57-23-14-10-13-17-46(74)75)62-53(78)48(42(70)26-35-18-20-36(66)21-19-35)61-52(77)40-28-38(68)31-64(40)55(80)47(34(4)65)60-51(39)76/h18-21,32-34,37-43,47-50,65-71H,5-17,22-31H2,1-4H3,(H,57,73)(H,58,79)(H,59,72)(H,60,76)(H,61,77)(H,62,78)(H,74,75)/t32?,33?,34-,37-,38-,39+,40+,41+,42-,43-,47+,48+,49+,50+/m1/s1
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n/an/a 900n/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))
BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
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US Patent
n/an/a 2.70E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


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


US Patent US8624022 (2014)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
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US Patent
n/an/a 5.40E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


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


US Patent US8624022 (2014)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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n/an/a 8.00E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


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


US Patent US8624022 (2014)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM111590
PNG
(US8624022, OGT4325)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C28H26F3N3O3/c29-37(30)31-18-22-7-4-8-24(17-22)23-10-12-26(13-11-23)34(20-28(36)33-16-15-25(32)19-33)27(35)14-9-21-5-2-1-3-6-21/h1-14,17,25H,15-16,19-20,32H2/b14-9+/t25-/m0/s1
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n/an/a 8.50E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


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


US Patent US8624022 (2014)

More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM111596
PNG
(US8624022, OGT3935)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C27H29ClN4O3/c28-21-8-6-7-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)24-11-4-5-12-25(24)35-23-9-2-1-3-10-23/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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n/an/a 1.20E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


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


US Patent US8624022 (2014)

More data for this
Ligand-Target Pair
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