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Compile Data Set for Download or QSAR

Found 151 hits of ic50 data for polymerid = 50000301   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1,3-glucan synthase


(Candida albicans)
BDBM50478215
PNG
(CASPOFUNGIN | CHEBI:474180 | Cancidas | Caspofungi...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)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/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans MY1055 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50478215
PNG
(CASPOFUNGIN | CHEBI:474180 | Cancidas | Caspofungi...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)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/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics


Antimicrob Agents Chemother 52: 4181-3 (2008)

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


(Candida albicans)
BDBM50417554
PNG
(ANIDULAFUNGIN)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)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
Show InChI InChI=1/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/s2
UniProtKB/TrEMBL

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CHEBI
DrugBank
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics


Antimicrob Agents Chemother 52: 4181-3 (2008)

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


(Candida albicans)
BDBM50491848
PNG
(CHEMBL2387201)
Show SMILES CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=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/C55H69N9O19/c1-3-4-5-20-82-33-16-12-28(13-17-33)40-23-34(62-83-40)27-6-8-30(9-7-27)48(74)57-35-22-39(70)51(77)61-53(79)45-37(68)18-19-63(45)55(81)43(38(69)24-41(56)71)59-52(78)44(47(73)46(72)29-10-14-31(66)15-11-29)60-50(76)36-21-32(67)25-64(36)54(80)42(26(2)65)58-49(35)75/h6-17,23,26,32,35-39,42-47,51,65-70,72-73,77H,3-5,18-22,24-25H2,1-2H3,(H2,56,71)(H,57,74)(H,58,75)(H,59,78)(H,60,76)(H,61,79)/t26-,32-,35+,36+,37+,38-,39-,42+,43+,44+,45+,46+,47+,51-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans MY1055 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50499796
PNG
(CHEMBL3742110)
Show SMILES CN[C@@](C)(CO[C@H]1[C@@H](C[C@@]23COCC1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(O)=O)[C@](C)(CC[C@]12C)[C@H](C)C(C)C)n1nnc(N)n1)C(C)C
Show InChI InChI=1S/C38H64N6O4/c1-22(2)24(5)33(6)16-17-35(8)25-12-13-28-34(7)19-47-21-38(28,26(25)14-15-36(35,9)29(33)31(45)46)18-27(44-42-32(39)41-43-44)30(34)48-20-37(10,40-11)23(3)4/h14,22-25,27-30,40H,12-13,15-21H2,1-11H3,(H2,39,42)(H,45,46)/t24-,25+,27-,28+,29-,30+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 2.99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499806
PNG
(CHEMBL3740011)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnc(N)n4)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C37H62N6O4/c1-21(2)23(5)32(6)15-16-34(8)24-11-12-27-33(7)18-46-20-37(27,25(24)13-14-35(34,9)28(32)30(44)45)17-26(43-41-31(38)40-42-43)29(33)47-19-36(10,39)22(3)4/h13,21-24,26-29H,11-12,14-20,39H2,1-10H3,(H2,38,41)(H,44,45)/t23-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+,37+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 3.05n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50491849
PNG
(CHEMBL2387202)
Show SMILES CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)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
Show InChI InChI=1S/C55H70N8O18/c1-5-6-7-20-80-35-18-14-30(15-19-35)40-23-36(61-81-40)29-8-10-32(11-9-29)48(72)56-37-22-39(68)51(75)60-53(77)44-45(69)26(2)24-63(44)55(79)42(28(4)65)58-52(76)43(47(71)46(70)31-12-16-33(66)17-13-31)59-50(74)38-21-34(67)25-62(38)54(78)41(27(3)64)57-49(37)73/h8-19,23,26-28,34,37-39,41-47,51,64-71,75H,5-7,20-22,24-25H2,1-4H3,(H,56,72)(H,57,73)(H,58,76)(H,59,74)(H,60,77)/t26-,27+,28+,34+,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,51+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counti...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50499797
PNG
(CHEMBL3742052)
Show SMILES CCN[C@@](C)(CO[C@H]1[C@@H](C[C@@]23COCC1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(O)=O)[C@](C)(CC[C@]12C)[C@H](C)C(C)C)n1nnc(N)n1)C(C)C
Show InChI InChI=1S/C39H66N6O4/c1-12-41-38(11,24(4)5)21-49-31-28(45-43-33(40)42-44-45)19-39-22-48-20-35(31,8)29(39)14-13-26-27(39)15-16-37(10)30(32(46)47)34(7,25(6)23(2)3)17-18-36(26,37)9/h15,23-26,28-31,41H,12-14,16-22H2,1-11H3,(H2,40,43)(H,46,47)/t25-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 7.32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499793
PNG
(CHEMBL3739474)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@@H](OC(C)=O)[C@@H]5OC[C@](C)(N)C(C)C)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C38H63NO6/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-43-21-38(29,27(26)14-15-36(35,10)30(33)32(41)42)18-28(45-25(6)40)31(34)44-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,41,42)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 9.53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499808
PNG
(CHEMBL3741296)
Show SMILES CCCN[C@@](C)(CO[C@H]1[C@@H](C[C@@]23COCC1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(O)=O)[C@](C)(CC[C@]12C)[C@H](C)C(C)C)n1nnc(N)n1)C(C)C
Show InChI InChI=1S/C40H68N6O4/c1-12-19-42-39(11,25(4)5)22-50-32-29(46-44-34(41)43-45-46)20-40-23-49-21-36(32,8)30(40)14-13-27-28(40)15-16-38(10)31(33(47)48)35(7,26(6)24(2)3)17-18-37(27,38)9/h15,24-27,29-32,42H,12-14,16-23H2,1-11H3,(H2,41,44)(H,47,48)/t26-,27+,29-,30+,31-,32+,35-,36?,37-,38+,39+,40+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 11.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499809
PNG
(CHEMBL3741220)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@@](C)(C(C)C)N(C)C)n4nnc(N)n4)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C39H66N6O4/c1-23(2)25(5)34(6)17-18-36(8)26-13-14-29-35(7)20-48-22-39(29,27(26)15-16-37(36,9)30(34)32(46)47)19-28(45-42-33(40)41-43-45)31(35)49-21-38(10,24(3)4)44(11)12/h15,23-26,28-31H,13-14,16-22H2,1-12H3,(H2,40,42)(H,46,47)/t25-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 13.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499807
PNG
(CHEMBL3740280)
Show SMILES CCCCN[C@@](C)(CO[C@H]1[C@@H](C[C@@]23COCC1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(O)=O)[C@](C)(CC[C@]12C)[C@H](C)C(C)C)n1nnc(N)n1)C(C)C
Show InChI InChI=1S/C41H70N6O4/c1-12-13-20-43-40(11,26(4)5)23-51-33-30(47-45-35(42)44-46-47)21-41-24-50-22-37(33,8)31(41)15-14-28-29(41)16-17-39(10)32(34(48)49)36(7,27(6)25(2)3)18-19-38(28,39)9/h16,25-28,30-33,43H,12-15,17-24H2,1-11H3,(H2,42,45)(H,48,49)/t27-,28+,30-,31+,32-,33+,36-,37?,38-,39+,40+,41+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 14.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50485379
PNG
(CHEMBL2059641)
Show SMILES CNc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1
Show InChI InChI=1S/C27H32ClN5O4S/c1-27(10-11-27)19-37-25-24(17-30-33(26(25)34)23-5-3-4-21(28)16-23)31-12-14-32(15-13-31)38(35,36)18-20-6-8-22(29-2)9-7-20/h3-9,16-17,29H,10-15,18-19H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 17.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50491851
PNG
(CHEMBL2387203)
Show SMILES CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)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)CC(N)=O
Show InChI InChI=1S/C51H82N8O17/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-37(66)53-32-21-35(64)47(72)57-49(74)41-42(67)27(4)23-59(41)51(76)39(34(63)22-36(52)65)55-48(73)40(44(69)43(68)29-15-17-30(61)18-16-29)56-46(71)33-20-31(62)24-58(33)50(75)38(28(5)60)54-45(32)70/h15-18,25-28,31-35,38-44,47,60-64,67-69,72H,6-14,19-24H2,1-5H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t25-,26+,27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counti...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50478216
PNG
(CHEBI:600520 | MICAFUNGIN | Micafungin | Mycamine)
Show SMILES CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)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)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O
Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
UniProtKB/TrEMBL

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KEGG
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics


Antimicrob Agents Chemother 52: 4181-3 (2008)

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


(Candida albicans)
BDBM50499799
PNG
(CHEMBL3741985)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@@H](OC(C)=O)[C@@H]5OC[C@@](C)(N)C(C)C)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C38H63NO6/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-43-21-38(29,27(26)14-15-36(35,10)30(33)32(41)42)18-28(45-25(6)40)31(34)44-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,41,42)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37-,38+/m1/s1
UniProtKB/TrEMBL

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UniChem
PubMed
n/an/a 22.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499794
PNG
(CHEMBL3741163)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnc(C)n4)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C38H63N5O4/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-46-21-38(29,27(26)14-15-36(35,10)30(33)32(44)45)18-28(43-41-25(6)40-42-43)31(34)47-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,44,45)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 24.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50491850
PNG
(CHEMBL2387205)
Show SMILES CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)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)CC(N)=O
Show InChI InChI=1S/C56H71N9O19/c1-4-5-6-19-83-34-17-13-29(14-18-34)40-22-35(63-84-40)28-7-9-31(10-8-28)49(75)58-36-21-39(70)52(78)62-54(80)45-46(72)26(2)24-65(45)56(82)43(38(69)23-41(57)71)60-53(79)44(48(74)47(73)30-11-15-32(67)16-12-30)61-51(77)37-20-33(68)25-64(37)55(81)42(27(3)66)59-50(36)76/h7-18,22,26-27,33,36-39,42-48,52,66-70,72-74,78H,4-6,19-21,23-25H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)/t26-,27+,33+,36-,37-,38+,39+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counti...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50491847
PNG
(CHEMBL3037784)
Show SMILES CC[C@H](C)C[C@H](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+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counti...


Bioorg Med Chem Lett 23: 3253-6 (2013)

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


(Candida albicans)
BDBM50485394
PNG
(CHEMBL2059493)
Show SMILES CC1(COc2c(cnn(-c3cc(F)cc(F)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(F)c2)CC1
Show InChI InChI=1S/C26H28F3N5O4S/c1-26(4-5-26)16-38-24-23(14-31-34(25(24)35)20-12-18(27)11-19(28)13-20)32-6-8-33(9-7-32)39(36,37)15-17-2-3-22(30)21(29)10-17/h2-3,10-14H,4-9,15-16,30H2,1H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 53.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485364
PNG
(CHEMBL2059474)
Show SMILES FCC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C26H28ClFN4O4S/c27-21-7-4-8-22(15-21)32-25(33)24(36-19-26(18-28)9-10-26)23(16-29-32)30-11-13-31(14-12-30)37(34,35)17-20-5-2-1-3-6-20/h1-8,15-16H,9-14,17-19H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 54.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485398
PNG
(CHEMBL2059384)
Show SMILES Fc1cc(F)cc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)Cc2ccccc2)c(OC2CCCC2)c1=O
Show InChI InChI=1S/C26H28F2N4O4S/c27-20-14-21(28)16-22(15-20)32-26(33)25(36-23-8-4-5-9-23)24(17-29-32)30-10-12-31(13-11-30)37(34,35)18-19-6-2-1-3-7-19/h1-3,6-7,14-17,23H,4-5,8-13,18H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 56.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50499811
PNG
(CHEMBL3742174)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnnc4N)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C37H62N6O4/c1-21(2)23(5)32(6)15-16-34(8)24-11-12-27-33(7)18-46-20-37(27,25(24)13-14-35(34,9)28(32)30(44)45)17-26(43-31(38)40-41-42-43)29(33)47-19-36(10,39)22(3)4/h13,21-24,26-29H,11-12,14-20,39H2,1-10H3,(H,44,45)(H2,38,40,42)/t23-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+,37+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 56.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50485363
PNG
(CHEMBL2059473)
Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C26H29ClN4O4S/c1-26(10-11-26)19-35-24-23(17-28-31(25(24)32)22-9-5-8-21(27)16-22)29-12-14-30(15-13-29)36(33,34)18-20-6-3-2-4-7-20/h2-9,16-17H,10-15,18-19H2,1H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 56.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485376
PNG
(CHEMBL2059494)
Show SMILES CC1(COc2c(cnn(-c3cc(F)cc(F)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(Cl)c2)CC1
Show InChI InChI=1S/C26H28ClF2N5O4S/c1-26(4-5-26)16-38-24-23(14-31-34(25(24)35)20-12-18(28)11-19(29)13-20)32-6-8-33(9-7-32)39(36,37)15-17-2-3-22(30)21(27)10-17/h2-3,10-14H,4-9,15-16,30H2,1H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50499805
PNG
(CHEMBL3741171)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnnc4C)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C38H63N5O4/c1-22(2)24(5)33(7)16-17-35(9)26-12-13-29-34(8)19-46-21-38(29,27(26)14-15-36(35,10)30(33)32(44)45)18-28(43-25(6)40-41-42-43)31(34)47-20-37(11,39)23(3)4/h14,22-24,26,28-31H,12-13,15-21,39H2,1-11H3,(H,44,45)/t24-,26+,28-,29+,30-,31+,33-,34?,35-,36+,37+,38+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 71.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50485368
PNG
(CHEMBL2059481)
Show SMILES Fc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1
Show InChI InChI=1S/C26H27F3N4O4S/c27-19-5-3-4-18(12-19)17-38(35,36)32-10-8-31(9-11-32)24-16-30-33(22-14-20(28)13-21(29)15-22)26(34)25(24)37-23-6-1-2-7-23/h3-5,12-16,23H,1-2,6-11,17H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 72.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485390
PNG
(CHEMBL2059482)
Show SMILES Fc1ccccc1CS(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(Cl)c2)c(=O)c1OC1CCCC1
Show InChI InChI=1S/C26H28ClFN4O4S/c27-20-7-5-8-21(16-20)32-26(33)25(36-22-9-2-3-10-22)24(17-29-32)30-12-14-31(15-13-30)37(34,35)18-19-6-1-4-11-23(19)28/h1,4-8,11,16-17,22H,2-3,9-10,12-15,18H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 73.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485375
PNG
(CHEMBL2059492)
Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2cccc(N)c2)CC1
Show InChI InChI=1S/C26H30ClN5O4S/c1-26(8-9-26)18-36-24-23(16-29-32(25(24)33)22-7-3-5-20(27)15-22)30-10-12-31(13-11-30)37(34,35)17-19-4-2-6-21(28)14-19/h2-7,14-16H,8-13,17-18,28H2,1H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 73.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50499792
PNG
(CHEMBL3739756)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@@H](OC(C)=O)[C@@H]5OCC(C)(C)N)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C36H59NO6/c1-21(2)22(3)32(7)15-16-34(9)24-11-12-27-33(8)19-41-20-36(27,25(24)13-14-35(34,10)28(32)30(39)40)17-26(43-23(4)38)29(33)42-18-31(5,6)37/h13,21-22,24,26-29H,11-12,14-20,37H2,1-10H3,(H,39,40)/t22-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 74.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499810
PNG
(CHEMBL3741086)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnnc4NC(C)=O)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C39H64N6O5/c1-22(2)24(5)34(7)16-17-36(9)26-12-13-29-35(8)19-49-21-39(29,27(26)14-15-37(36,10)30(34)32(47)48)18-28(31(35)50-20-38(11,40)23(3)4)45-33(41-25(6)46)42-43-44-45/h14,22-24,26,28-31H,12-13,15-21,40H2,1-11H3,(H,47,48)(H,41,42,44,46)/t24-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 81.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499804
PNG
(CHEMBL3740861)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@@H](OC(C)=O)[C@@H]5OCCN)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C34H55NO6/c1-20(2)21(3)30(5)13-14-32(7)23-9-10-26-31(6)18-39-19-34(26,17-25(41-22(4)36)28(31)40-16-15-35)24(23)11-12-33(32,8)27(30)29(37)38/h11,20-21,23,25-28H,9-10,12-19,35H2,1-8H3,(H,37,38)/t21-,23+,25-,26+,27-,28+,30-,31?,32-,33+,34+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 81.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499795
PNG
(CHEMBL3740165)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@H]([C@@H]5OC[C@](C)(N)C(C)C)n4nnc(NC(C)=O)n4)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C39H64N6O5/c1-22(2)24(5)34(7)16-17-36(9)26-12-13-29-35(8)19-49-21-39(29,27(26)14-15-37(36,10)30(34)32(47)48)18-28(31(35)50-20-38(11,40)23(3)4)45-43-33(42-44-45)41-25(6)46/h14,22-24,26,28-31H,12-13,15-21,40H2,1-11H3,(H,47,48)(H,41,43,46)/t24-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 86.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50499787
PNG
(CHEMBL3740212)
Show SMILES CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C5(C)COC[C@@]4(C[C@@H](OC(C)=O)[C@@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CC[C@@]2(C)[C@@H]1C(O)=O
Show InChI InChI=1S/C38H60O11/c1-19(2)20(3)34(5)13-14-36(7)22-9-10-26-35(6)17-46-18-38(26,23(22)11-12-37(36,8)30(34)32(44)45)15-24(47-21(4)40)31(35)49-33-29(43)28(42)27(41)25(16-39)48-33/h11,19-20,22,24-31,33,39,41-43H,9-10,12-18H2,1-8H3,(H,44,45)/t20-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
KEGG
UniChem
PubMed
n/an/a 86.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

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


(Candida albicans)
BDBM50485380
PNG
(CHEMBL2059642)
Show SMILES CN(C)c1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1
Show InChI InChI=1S/C28H34ClN5O4S/c1-28(11-12-28)20-38-26-25(18-30-34(27(26)35)24-6-4-5-22(29)17-24)32-13-15-33(16-14-32)39(36,37)19-21-7-9-23(10-8-21)31(2)3/h4-10,17-18H,11-16,19-20H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 87.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485331
PNG
(CHEMBL2046603)
Show SMILES Clc1cccc(NC(=O)C(\OC2CCCC2)=C(/C=N)N2CCN(CC2)S(=O)(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C26H32ClN5O4S/c27-21-9-6-10-22(17-21)30-26(33)25(36-23-11-4-5-12-23)24(18-28)31-13-15-32(16-14-31)37(34,35)29-19-20-7-2-1-3-8-20/h1-3,6-10,17-18,23,28-29H,4-5,11-16,19H2,(H,30,33)/b25-24-,28-18?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 87.9n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485333
PNG
(CHEMBL2046738)
Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C25H31ClN6O4S/c1-25(7-8-25)18-36-23(24(33)30-21-4-2-3-20(26)15-21)22(16-27)31-11-13-32(14-12-31)37(34,35)29-17-19-5-9-28-10-6-19/h2-6,9-10,15-16,27,29H,7-8,11-14,17-18H2,1H3,(H,30,33)/b23-22-,27-16?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 91.4n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485393
PNG
(CHEMBL2059490)
Show SMILES Oc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1
Show InChI InChI=1S/C26H28F2N4O5S/c27-19-13-20(28)15-21(14-19)32-26(34)25(37-23-6-1-2-7-23)24(16-29-32)30-8-10-31(11-9-30)38(35,36)17-18-4-3-5-22(33)12-18/h3-5,12-16,23,33H,1-2,6-11,17H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 91.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485396
PNG
(CHEMBL2059643)
Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)nc2)CC1
Show InChI InChI=1S/C25H29ClN6O4S/c1-25(7-8-25)17-36-23-21(15-29-32(24(23)33)20-4-2-3-19(26)13-20)30-9-11-31(12-10-30)37(34,35)16-18-5-6-22(27)28-14-18/h2-6,13-15H,7-12,16-17H2,1H3,(H2,27,28)
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 91.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485392
PNG
(CHEMBL1770665)
Show SMILES Nc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2CCCC2)cc1
Show InChI InChI=1S/C26H30ClN5O4S/c27-20-4-3-5-22(16-20)32-26(33)25(36-23-6-1-2-7-23)24(17-29-32)30-12-14-31(15-13-30)37(34,35)18-19-8-10-21(28)11-9-19/h3-5,8-11,16-17,23H,1-2,6-7,12-15,18,28H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 91.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485327
PNG
(CHEMBL2046736)
Show SMILES Cc1nc2ccc(CNS(=O)(=O)N3CCN(CC3)C(\C=N)=C(/OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)cc2s1
Show InChI InChI=1S/C28H33ClN6O4S2/c1-19-32-23-7-6-20(14-25(23)40-19)17-31-41(37,38)35-12-10-34(11-13-35)24(16-30)26(39-18-28(2)8-9-28)27(36)33-22-5-3-4-21(29)15-22/h3-7,14-16,30-31H,8-13,17-18H2,1-2H3,(H,33,36)/b26-24-,30-16?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 97.2n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485400
PNG
(CHEMBL2059496)
Show SMILES COc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N
Show InChI InChI=1S/C27H32ClN5O5S/c1-27(8-9-27)18-38-25-23(16-30-33(26(25)34)21-5-3-4-20(28)15-21)31-10-12-32(13-11-31)39(35,36)17-19-6-7-22(29)24(14-19)37-2/h3-7,14-16H,8-13,17-18,29H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 104n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485326
PNG
(CHEMBL2046747)
Show SMILES Cc1cc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)ccc1N
Show InChI InChI=1S/C27H35ClN6O4S/c1-19-14-20(6-7-23(19)30)17-31-39(36,37)34-12-10-33(11-13-34)24(16-29)25(38-18-27(2)8-9-27)26(35)32-22-5-3-4-21(28)15-22/h3-7,14-16,29,31H,8-13,17-18,30H2,1-2H3,(H,32,35)/b25-24-,29-16?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 107n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485367
PNG
(CHEMBL1770516)
Show SMILES Fc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2CCCC2)cc1
Show InChI InChI=1S/C26H28ClFN4O4S/c27-20-4-3-5-22(16-20)32-26(33)25(36-23-6-1-2-7-23)24(17-29-32)30-12-14-31(15-13-30)37(34,35)18-19-8-10-21(28)11-9-19/h3-5,8-11,16-17,23H,1-2,6-7,12-15,18H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485372
PNG
(CHEMBL2059488)
Show SMILES Nc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)cc1
Show InChI InChI=1S/C26H29F2N5O4S/c27-19-13-20(28)15-22(14-19)33-26(34)25(37-23-3-1-2-4-23)24(16-30-33)31-9-11-32(12-10-31)38(35,36)17-18-5-7-21(29)8-6-18/h5-8,13-16,23H,1-4,9-12,17,29H2
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485374
PNG
(CHEMBL2059491)
Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C26H30ClN5O4S/c1-26(9-10-26)18-36-24-23(16-29-32(25(24)33)22-4-2-3-20(27)15-22)30-11-13-31(14-12-30)37(34,35)17-19-5-7-21(28)8-6-19/h2-8,15-16H,9-14,17-18,28H2,1H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

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


(Candida albicans)
BDBM50485336
PNG
(CHEMBL2046746)
Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccc(N)c(F)c2)CC1
Show InChI InChI=1S/C26H32ClFN6O4S/c1-26(7-8-26)17-38-24(25(35)32-20-4-2-3-19(27)14-20)23(15-29)33-9-11-34(12-10-33)39(36,37)31-16-18-5-6-22(30)21(28)13-18/h2-6,13-15,29,31H,7-12,16-17,30H2,1H3,(H,32,35)/b24-23-,29-15?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485328
PNG
(CHEMBL2046602)
Show SMILES Clc1cccc(NC(=O)C(\OC2CCCC2)=C(/C=N)N2CCN(CC2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C25H30ClN5O4S/c26-19-7-6-10-21(17-19)28-25(32)24(35-22-11-4-5-12-22)23(18-27)30-13-15-31(16-14-30)36(33,34)29-20-8-2-1-3-9-20/h1-3,6-10,17-18,22,27,29H,4-5,11-16H2,(H,28,32)/b24-23-,27-18?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 116n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485338
PNG
(CHEMBL2046742)
Show SMILES Cc1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1N
Show InChI InChI=1S/C27H35ClN6O4S/c1-19-6-7-20(14-23(19)30)17-31-39(36,37)34-12-10-33(11-13-34)24(16-29)25(38-18-27(2)8-9-27)26(35)32-22-5-3-4-21(28)15-22/h3-7,14-16,29,31H,8-13,17-18,30H2,1-2H3,(H,32,35)/b25-24-,29-16?
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 125n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane


Bioorg Med Chem Lett 22: 4896-9 (2012)

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


(Candida albicans)
BDBM50485397
PNG
(CHEMBL2059637)
Show SMILES Cc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OCC2(C)CC2)ccc1N
Show InChI InChI=1S/C27H31F2N5O4S/c1-18-11-19(3-4-23(18)30)16-39(36,37)33-9-7-32(8-10-33)24-15-31-34(22-13-20(28)12-21(29)14-22)26(35)25(24)38-17-27(2)5-6-27/h3-4,11-15H,5-10,16-17,30H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 125n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes


Bioorg Med Chem Lett 22: 5268-71 (2012)

More data for this
Ligand-Target Pair
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