Found 121 hits Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase component GSC2' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM97255
(2-(1-bromanylnaphthalen-2-yl)oxy-N-pyridin-3-yl-et...)Show InChI InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to Kv11.1 channel (unknown origin) |
Eur J Med Chem 106: 50-9 (2015)
Article DOI: 10.1016/j.ejmech.2015.10.032
BindingDB Entry DOI: 10.7270/Q25X2CZB |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289910
(1N-[21-(2-aminoethoxy)-3-(3-amino-1-hydroxypropyl)...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)OCCN Show InChI InChI=1S/C52H87N9O16/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(68)55-35-24-38(66)50(77-21-20-54)59-46(71)34-26-60(27-39(34)67)51(75)42(37(65)18-19-53)57-49(74)43(45(70)44(69)31-14-16-32(63)17-15-31)58-48(73)36-23-33(64)25-61(36)52(76)41(30(4)62)56-47(35)72/h14-17,28-30,33-39,41-45,50,62-67,69-70H,5-13,18-27,53-54H2,1-4H3,(H,55,68)(H,56,72)(H,57,74)(H,58,73)(H,59,71)/t28?,29?,30-,33-,34?,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,50-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289923
(1N-[21-(2-aminoethoxy)-3-[3-(1,4-diaminobutylcarbo...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCN)OCCN Show InChI InChI=1S/C57H97N11O17/c1-5-31(2)25-32(3)13-10-8-6-7-9-11-15-44(75)62-39-27-42(73)55(85-24-22-59)66-50(78)37-29-67(30-43(37)74)56(83)46(41(72)20-23-61-51(79)38(60)14-12-21-58)64-54(82)47(49(77)48(76)34-16-18-35(70)19-17-34)65-53(81)40-26-36(71)28-68(40)57(84)45(33(4)69)63-52(39)80/h16-19,31-33,36-43,45-49,55,69-74,76-77H,5-15,20-30,58-60H2,1-4H3,(H,61,79)(H,62,75)(H,63,80)(H,64,82)(H,65,81)(H,66,78)/t31?,32?,33-,36-,37?,38+,39?,40?,41-,42-,43+,45+,46+,47+,48+,49+,55-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289922
(1N-[3-[3-(1,4-diaminobutylcarboxamido)-1-hydroxypr...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCN Show InChI InChI=1S/C55H92N10O17/c1-5-29(2)23-30(3)13-10-8-6-7-9-11-15-42(72)59-37-25-40(70)52(79)63-48(75)35-27-64(28-41(35)71)54(81)44(39(69)20-22-58-49(76)36(57)14-12-21-56)61-53(80)45(47(74)46(73)32-16-18-33(67)19-17-32)62-51(78)38-24-34(68)26-65(38)55(82)43(31(4)66)60-50(37)77/h16-19,29-31,34-41,43-47,52,66-71,73-74,79H,5-15,20-28,56-57H2,1-4H3,(H,58,76)(H,59,72)(H,60,77)(H,61,80)(H,62,78)(H,63,75)/t29?,30?,31-,34-,35?,36+,37?,38?,39-,40-,41+,43+,44+,45+,46+,47+,52-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289914
(1N-[21-(2-aminoethoxy)-3-[3-(1,5-diaminopentylcarb...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCCN)OCCN Show InChI InChI=1S/C58H99N11O17/c1-5-32(2)26-33(3)14-10-8-6-7-9-11-16-45(76)63-40-28-43(74)56(86-25-23-60)67-51(79)38-30-68(31-44(38)75)57(84)47(42(73)21-24-62-52(80)39(61)15-12-13-22-59)65-55(83)48(50(78)49(77)35-17-19-36(71)20-18-35)66-54(82)41-27-37(72)29-69(41)58(85)46(34(4)70)64-53(40)81/h17-20,32-34,37-44,46-50,56,70-75,77-78H,5-16,21-31,59-61H2,1-4H3,(H,62,80)(H,63,76)(H,64,81)(H,65,83)(H,66,82)(H,67,79)/t32?,33?,34-,37-,38?,39+,40?,41?,42-,43-,44+,46+,47+,48+,49+,50+,56-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289924
(1N-[21-(2-aminoethoxy)-3-[3-(1,2-diaminoethylcarbo...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CN)OCCN Show InChI InChI=1S/C55H93N11O17/c1-5-29(2)22-30(3)12-10-8-6-7-9-11-13-42(73)60-37-24-40(71)53(83-21-19-56)64-48(76)35-27-65(28-41(35)72)54(81)44(39(70)18-20-59-49(77)36(58)25-57)62-52(80)45(47(75)46(74)32-14-16-33(68)17-15-32)63-51(79)38-23-34(69)26-66(38)55(82)43(31(4)67)61-50(37)78/h14-17,29-31,34-41,43-47,53,67-72,74-75H,5-13,18-28,56-58H2,1-4H3,(H,59,77)(H,60,73)(H,61,78)(H,62,80)(H,63,79)(H,64,76)/t29?,30?,31-,34-,35?,36+,37?,38?,39-,40-,41+,43+,44+,45+,46+,47+,53-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289917
(1N-[21-(2-aminoethoxy)-3-[3-(1,3-diaminopropylcarb...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCN)OCCN Show InChI InChI=1S/C56H95N11O17/c1-5-30(2)24-31(3)12-10-8-6-7-9-11-13-43(74)61-38-26-41(72)54(84-23-21-58)65-49(77)36-28-66(29-42(36)73)55(82)45(40(71)19-22-60-50(78)37(59)18-20-57)63-53(81)46(48(76)47(75)33-14-16-34(69)17-15-33)64-52(80)39-25-35(70)27-67(39)56(83)44(32(4)68)62-51(38)79/h14-17,30-32,35-42,44-48,54,68-73,75-76H,5-13,18-29,57-59H2,1-4H3,(H,60,78)(H,61,74)(H,62,79)(H,63,81)(H,64,80)(H,65,77)/t30?,31?,32-,35-,36?,37+,38?,39?,40-,41-,42+,44+,45+,46+,47+,48+,54-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50503151
(CHEMBL4450420)Show SMILES Cc1ncc(CNNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1 Show InChI InChI=1S/C17H16ClFN6O3S2/c1-10-20-7-12(29-10)8-23-25-17(26)16-9-21-11(5-22-16)6-24-30(27,28)13-2-3-15(19)14(18)4-13/h2-5,7,9,23-24H,6,8H2,1H3,(H,25,26) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human GluN2A receptor expressed in HEK cells assessed as reduction in 3 uM glycine/glutamate-induced intracellular ... |
J Med Chem 62: 3-23 (2019)
Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289919
(10,12-Dimethyl-tetradecanoic acid [3-(3-amino-1-hy...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN Show InChI InChI=1S/C50H82N8O16/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-38(65)52-33-22-36(63)47(71)56-44(68)32-24-57(25-37(32)64)49(73)40(35(62)18-19-51)54-48(72)41(43(67)42(66)29-14-16-30(60)17-15-29)55-46(70)34-21-31(61)23-58(34)50(74)39(28(4)59)53-45(33)69/h14-17,26-28,31-37,39-43,47,59-64,66-67,71H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,69)(H,54,72)(H,55,70)(H,56,68)/t26?,27?,28-,31-,32?,33?,34?,35-,36-,37+,39+,40+,41+,42+,43+,47-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289909
(1N-[3-[3-(1,5-diaminopentylcarboxamido)-1-hydroxyp...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCCCN Show InChI InChI=1S/C56H94N10O17/c1-5-30(2)24-31(3)14-10-8-6-7-9-11-16-43(73)60-38-26-41(71)53(80)64-49(76)36-28-65(29-42(36)72)55(82)45(40(70)21-23-59-50(77)37(58)15-12-13-22-57)62-54(81)46(48(75)47(74)33-17-19-34(68)20-18-33)63-52(79)39-25-35(69)27-66(39)56(83)44(32(4)67)61-51(38)78/h17-20,30-32,35-42,44-48,53,67-72,74-75,80H,5-16,21-29,57-58H2,1-4H3,(H,59,77)(H,60,73)(H,61,78)(H,62,81)(H,63,79)(H,64,76)/t30?,31?,32-,35-,36?,37+,38?,39?,40-,41-,42+,44+,45+,46+,47+,48+,53-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289918
(1N-[3-(3-aminomethylcarboxamido-1-hydroxypropyl)-6...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CN Show InChI InChI=1S/C52H85N9O17/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-39(68)55-34-22-37(66)49(75)59-46(72)33-25-60(26-38(33)67)51(77)42(36(65)18-19-54-40(69)23-53)57-50(76)43(45(71)44(70)30-14-16-31(63)17-15-30)58-48(74)35-21-32(64)24-61(35)52(78)41(29(4)62)56-47(34)73/h14-17,27-29,32-38,41-45,49,62-67,70-71,75H,5-13,18-26,53H2,1-4H3,(H,54,69)(H,55,68)(H,56,73)(H,57,76)(H,58,74)(H,59,72)/t27?,28?,29-,32-,33?,34?,35?,36-,37-,38+,41+,42+,43+,44+,45+,49-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289913
(1N-[3-[3-(4-aminobutylcarboxamido)-1-hydroxypropyl...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCCN Show InChI InChI=1S/C55H91N9O17/c1-5-30(2)24-31(3)14-10-8-6-7-9-11-16-43(72)58-37-26-40(69)52(78)62-49(75)36-28-63(29-41(36)70)54(80)45(39(68)21-23-57-42(71)15-12-13-22-56)60-53(79)46(48(74)47(73)33-17-19-34(66)20-18-33)61-51(77)38-25-35(67)27-64(38)55(81)44(32(4)65)59-50(37)76/h17-20,30-32,35-41,44-48,52,65-70,73-74,78H,5-16,21-29,56H2,1-4H3,(H,57,71)(H,58,72)(H,59,76)(H,60,79)(H,61,77)(H,62,75)/t30?,31?,32-,35-,36?,37?,38?,39-,40-,41+,44+,45+,46+,47+,48+,52-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289920
(1N-[3-[3-(2-aminoethylcarboxamido)-1-hydroxypropyl...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCN Show InChI InChI=1S/C53H87N9O17/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-41(70)56-35-24-38(67)50(76)60-47(73)34-26-61(27-39(34)68)52(78)43(37(66)19-21-55-40(69)18-20-54)58-51(77)44(46(72)45(71)31-14-16-32(64)17-15-31)59-49(75)36-23-33(65)25-62(36)53(79)42(30(4)63)57-48(35)74/h14-17,28-30,33-39,42-46,50,63-68,71-72,76H,5-13,18-27,54H2,1-4H3,(H,55,69)(H,56,70)(H,57,74)(H,58,77)(H,59,75)(H,60,73)/t28?,29?,30-,33-,34?,35?,36?,37-,38-,39+,42+,43+,44+,45+,46+,50-/m1/s1 | UniProtKB/TrEMBL
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50503154
(CHEMBL4555447)Show SMILES Cc1ncc(CNNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(F)c3)c(C)n2)s1 Show InChI InChI=1S/C18H18F2N6O3S2/c1-10-16(9-24-31(28,29)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(27)26-23-7-12-6-21-11(2)30-12/h3-6,8,23-24H,7,9H2,1-2H3,(H,26,27) | UniProtKB/TrEMBL
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human GluN2A receptor expressed in HEK cells assessed as reduction in 3 uM glycine/glutamate-induced intracellular ... |
J Med Chem 62: 3-23 (2019)
Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289911
(1N-[3-[3-(1,2-diaminoethylcarboxamido)-1-hydroxypr...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CN Show InChI InChI=1S/C53H88N10O17/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(70)57-35-22-38(68)50(77)61-46(73)33-25-62(26-39(33)69)52(79)42(37(67)18-19-56-47(74)34(55)23-54)59-51(78)43(45(72)44(71)30-14-16-31(65)17-15-30)60-49(76)36-21-32(66)24-63(36)53(80)41(29(4)64)58-48(35)75/h14-17,27-29,32-39,41-45,50,64-69,71-72,77H,5-13,18-26,54-55H2,1-4H3,(H,56,74)(H,57,70)(H,58,75)(H,59,78)(H,60,76)(H,61,73)/t27?,28?,29-,32-,33?,34+,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,50-/m1/s1 | UniProtKB/TrEMBL
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290785
(CHEMBL406357 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc2OC(O)Cc2c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C52H82N8O16/c1-5-27(2)18-28(3)12-10-8-6-7-9-11-13-41(68)55-34-22-32(62)25-54-50(73)46-36(64)16-17-59(46)52(75)45(38(66)24-40(53)67)58-49(72)44(37(65)20-30-14-15-39-31(19-30)21-42(69)76-39)57-48(71)35-23-33(63)26-60(35)51(74)43(29(4)61)56-47(34)70/h14-15,19,27-29,32-38,42-46,61-66,69H,5-13,16-18,20-26H2,1-4H3,(H2,53,67)(H,54,73)(H,55,68)(H,56,70)(H,57,71)(H,58,72)/t27?,28?,29-,32-,33-,34-,35+,36+,37+,38+,42?,43+,44+,45+,46+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290778
(CHEMBL414690 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CN)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C52H84N10O18/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(70)56-31-21-36(68)48(76)60-50(78)43-34(66)16-17-61(43)52(80)41(35(67)22-37(54)69)58-49(77)42(45(73)44(72)28-14-15-33(65)30(19-28)55-39(71)23-53)59-47(75)32-20-29(64)24-62(32)51(79)40(27(4)63)57-46(31)74/h14-15,19,25-27,29,31-32,34-36,40-45,48,63-68,72-73,76H,5-13,16-18,20-24,53H2,1-4H3,(H2,54,69)(H,55,71)(H,56,70)(H,57,74)(H,58,77)(H,59,75)(H,60,78)/t25?,26?,27-,29-,31-,32+,34+,35+,36-,40+,41+,42+,43+,44-,45-,48-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)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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| n/a | n/a | 39.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 5416 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p W1375L mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290798
(CHEMBL268721 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(N)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H81N9O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(67)53-30-21-35(65)46(72)57-48(74)41-33(63)16-17-58(41)50(76)39(34(64)22-36(52)66)55-47(73)40(43(69)42(68)27-14-15-32(62)29(51)19-27)56-45(71)31-20-28(61)23-59(31)49(75)38(26(4)60)54-44(30)70/h14-15,19,24-26,28,30-31,33-35,38-43,46,60-65,68-69,72H,5-13,16-18,20-23,51H2,1-4H3,(H2,52,66)(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290784
(CHEMBL413522 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(N)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H81N9O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)54-33-21-30(61)24-53-48(72)44-36(64)16-17-58(44)50(74)43(38(66)23-39(52)67)57-47(71)42(37(65)20-29-14-15-35(63)32(51)19-29)56-46(70)34-22-31(62)25-59(34)49(73)41(28(4)60)55-45(33)69/h14-15,19,26-28,30-31,33-34,36-38,41-44,60-66H,5-13,16-18,20-25,51H2,1-4H3,(H2,52,67)(H,53,72)(H,54,68)(H,55,69)(H,56,70)(H,57,71)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289915
(1N-[3-[3-(3-aminopropylcarboxamido)-1-hydroxypropy...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCN Show InChI InChI=1S/C54H89N9O17/c1-5-29(2)23-30(3)13-10-8-6-7-9-11-14-42(71)57-36-25-39(68)51(77)61-48(74)35-27-62(28-40(35)69)53(79)44(38(67)20-22-56-41(70)15-12-21-55)59-52(78)45(47(73)46(72)32-16-18-33(65)19-17-32)60-50(76)37-24-34(66)26-63(37)54(80)43(31(4)64)58-49(36)75/h16-19,29-31,34-40,43-47,51,64-69,72-73,77H,5-15,20-28,55H2,1-4H3,(H,56,70)(H,57,71)(H,58,75)(H,59,78)(H,60,76)(H,61,74)/t29?,30?,31-,34-,35?,36?,37?,38-,39-,40+,43+,44+,45+,46+,47+,51-/m1/s1 | UniProtKB/TrEMBL
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290792
(CHEMBL441213 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(CCO)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C52H84N8O16/c1-5-28(2)20-29(3)12-10-8-6-7-9-11-13-42(70)55-35-23-33(63)26-54-50(74)46-38(66)16-18-59(46)52(76)45(40(68)25-41(53)69)58-49(73)44(39(67)22-31-14-15-37(65)32(21-31)17-19-61)57-48(72)36-24-34(64)27-60(36)51(75)43(30(4)62)56-47(35)71/h14-15,21,28-30,33-36,38-40,43-46,61-68H,5-13,16-20,22-27H2,1-4H3,(H2,53,69)(H,54,74)(H,55,70)(H,56,71)(H,57,72)(H,58,73)/t28?,29?,30-,33-,34-,35-,36+,38+,39+,40+,43+,44+,45+,46+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289912
(1N-[3-[3-(1,3-diaminopropylcarboxamido)-1-hydroxyp...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)[C@@H](N)CCN Show InChI InChI=1S/C54H90N10O17/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-41(71)58-36-24-39(69)51(78)62-47(74)34-26-63(27-40(34)70)53(80)43(38(68)19-21-57-48(75)35(56)18-20-55)60-52(79)44(46(73)45(72)31-14-16-32(66)17-15-31)61-50(77)37-23-33(67)25-64(37)54(81)42(30(4)65)59-49(36)76/h14-17,28-30,33-40,42-46,51,65-70,72-73,78H,5-13,18-27,55-56H2,1-4H3,(H,57,75)(H,58,71)(H,59,76)(H,60,79)(H,61,77)(H,62,74)/t28?,29?,30-,33-,34?,35+,36?,37?,38-,39-,40+,42+,43+,44+,45+,46+,51-/m1/s1 | UniProtKB/TrEMBL
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)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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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 42031 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666E mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290803
(CHEMBL407395 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CCN)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C53H86N10O18/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-39(71)57-32-23-37(69)49(77)61-51(79)44-35(67)17-19-62(44)53(81)42(36(68)24-38(55)70)59-50(78)43(46(74)45(73)29-14-15-34(66)31(21-29)56-40(72)16-18-54)60-48(76)33-22-30(65)25-63(33)52(80)41(28(4)64)58-47(32)75/h14-15,21,26-28,30,32-33,35-37,41-46,49,64-69,73-74,77H,5-13,16-20,22-25,54H2,1-4H3,(H2,55,70)(H,56,72)(H,57,71)(H,58,75)(H,59,78)(H,60,76)(H,61,79)/t26?,27?,28-,30-,32-,33+,35+,36+,37-,41+,42+,43+,44+,45-,46-,49-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290797
(CHEMBL267988 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)cc1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31-,32+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290777
(CHEMBL428264 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)cc1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H80N8O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(67)53-34-22-32(61)25-52-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-39(51)66)56-47(70)42(37(64)21-30-14-16-31(60)17-15-30)55-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)54-45(34)68/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,66)(H,52,71)(H,53,67)(H,54,68)(H,55,69)(H,56,70)/t27?,28?,29-,32-,33-,34-,35+,36+,37+,38+,41+,42+,43+,44+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50417554
(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 |r| Show InChI InChI=1S/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+/m0/s1 | UniProtKB/TrEMBL
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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 5416 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p W1375L mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50417554
(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 |r| Show InChI InChI=1S/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+/m0/s1 | UniProtKB/TrEMBL
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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 234 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659V mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)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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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 41400 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666G mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290793
(CHEMBL410837 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(C=C)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C52H82N8O15/c1-6-28(3)20-29(4)14-12-10-8-9-11-13-15-42(69)55-35-23-33(62)26-54-50(73)46-38(65)18-19-59(46)52(75)45(40(67)25-41(53)68)58-49(72)44(39(66)22-31-16-17-37(64)32(7-2)21-31)57-48(71)36-24-34(63)27-60(36)51(74)43(30(5)61)56-47(35)70/h7,16-17,21,28-30,33-36,38-40,43-46,61-67H,2,6,8-15,18-20,22-27H2,1,3-5H3,(H2,53,68)(H,54,73)(H,55,69)(H,56,70)(H,57,71)(H,58,72)/t28?,29?,30-,33-,34-,35-,36+,38+,39+,40+,43+,44+,45+,46+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)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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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 51916 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p P667T mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50417554
(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 |r| Show InChI InChI=1S/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+/m0/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 87.3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 51916 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p P667T mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)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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| n/a | n/a | 89.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 234 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659V mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50289916
(1N-[3-[3-(5-aminopentylcarboxamido)-1-hydroxypropy...)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@@H](O)NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(=O)CCCCCN Show InChI InChI=1S/C56H93N9O17/c1-5-31(2)25-32(3)15-11-8-6-7-9-12-17-44(73)59-38-27-41(70)53(79)63-50(76)37-29-64(30-42(37)71)55(81)46(40(69)22-24-58-43(72)16-13-10-14-23-57)61-54(80)47(49(75)48(74)34-18-20-35(67)21-19-34)62-52(78)39-26-36(68)28-65(39)56(82)45(33(4)66)60-51(38)77/h18-21,31-33,36-42,45-49,53,66-71,74-75,79H,5-17,22-30,57H2,1-4H3,(H,58,72)(H,59,73)(H,60,77)(H,61,80)(H,62,78)(H,63,76)/t31?,32?,33-,36-,37?,38?,39?,40-,41-,42+,45+,46+,47+,48+,49+,53-/m1/s1 | UniProtKB/TrEMBL
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-glucan synthase |
Bioorg Med Chem Lett 7: 2021-2026 (1997)
Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290796
(CHEMBL439260 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(C)=O)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C52H83N9O18/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-39(70)55-32-22-37(68)48(75)59-50(77)43-35(66)17-18-60(43)52(79)41(36(67)23-38(53)69)57-49(76)42(45(72)44(71)29-15-16-34(65)31(20-29)54-28(5)63)58-47(74)33-21-30(64)24-61(33)51(78)40(27(4)62)56-46(32)73/h15-16,20,25-27,30,32-33,35-37,40-45,48,62,64-68,71-72,75H,6-14,17-19,21-24H2,1-5H3,(H2,53,69)(H,54,63)(H,55,70)(H,56,73)(H,57,76)(H,58,74)(H,59,77)/t25?,26?,27-,30-,32-,33+,35+,36+,37-,40+,41+,42+,43+,44-,45-,48-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290791
(CHEMBL408285 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(O)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H80N8O16/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)53-32-21-30(60)24-52-48(72)44-35(63)16-17-57(44)50(74)43(38(66)23-39(51)67)56-47(71)42(37(65)20-29-14-15-34(62)36(64)19-29)55-46(70)33-22-31(61)25-58(33)49(73)41(28(4)59)54-45(32)69/h14-15,19,26-28,30-33,35,37-38,41-44,59-66H,5-13,16-18,20-25H2,1-4H3,(H2,51,67)(H,52,72)(H,53,68)(H,54,69)(H,55,70)(H,56,71)/t26?,27?,28-,30-,31-,32-,33+,35+,37+,38+,41+,42+,43+,44+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290775
(CHEMBL415669 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(I)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H79IN8O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)54-33-21-30(61)24-53-48(72)44-36(64)16-17-58(44)50(74)43(38(66)23-39(52)67)57-47(71)42(37(65)20-29-14-15-35(63)32(51)19-29)56-46(70)34-22-31(62)25-59(34)49(73)41(28(4)60)55-45(33)69/h14-15,19,26-28,30-31,33-34,36-38,41-44,60-66H,5-13,16-18,20-25H2,1-4H3,(H2,52,67)(H,53,72)(H,54,68)(H,55,69)(H,56,70)(H,57,71)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290801
(CHEMBL384968 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(I)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C50H79IN8O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(67)53-30-21-35(65)46(72)57-48(74)41-33(63)16-17-58(41)50(76)39(34(64)22-36(52)66)55-47(73)40(43(69)42(68)27-14-15-32(62)29(51)19-27)56-45(71)31-20-28(61)23-59(31)49(75)38(26(4)60)54-44(30)70/h14-15,19,24-26,28,30-31,33-35,38-43,46,60-65,68-69,72H,5-13,16-18,20-23H2,1-4H3,(H2,52,66)(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50236939
(CHEMBL2333945)Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 Show InChI InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28) | UniProtKB/TrEMBL
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University of M£nster
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of eGFP-fused human GluN2A receptor expressed in HEK293T cells assessed as inhibition of NMDA-induced channel current ... |
Eur J Med Chem 129: 124-134 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.018
BindingDB Entry DOI: 10.7270/Q2BK1FMD |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50236939
(CHEMBL2333945)Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 Show InChI InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28) | UniProtKB/TrEMBL
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University of Bristol
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human GluN2A receptor expressed in HEK cells assessed as reduction in glycine/glutamate-induced intracellular calci... |
J Med Chem 62: 3-23 (2019)
Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50572242
(CHEMBL4846230)Show SMILES [Na;v0+].[#6]-[#7](-[#6])-c1ccc(\[#7]=[#7]\c2ccccn2)c(-[#8-])c1 | PDB
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TBA
| Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50417554
(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 |r| Show InChI InChI=1S/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+/m0/s1 | UniProtKB/TrEMBL
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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 42031 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666E mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| 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
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University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida glabrata isolate 234 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659V mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290782
(CHEMBL385665 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(CC=C)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C53H84N8O15/c1-6-14-33-22-32(17-18-38(33)65)23-40(67)45-50(73)59-46(41(68)26-42(54)69)53(76)60-20-19-39(66)47(60)51(74)55-27-34(63)24-36(56-43(70)16-13-11-9-8-10-12-15-30(4)21-29(3)7-2)48(71)57-44(31(5)62)52(75)61-28-35(64)25-37(61)49(72)58-45/h6,17-18,22,29-31,34-37,39-41,44-47,62-68H,1,7-16,19-21,23-28H2,2-5H3,(H2,54,69)(H,55,74)(H,56,70)(H,57,71)(H,58,72)(H,59,73)/t29?,30?,31-,34-,35-,36-,37+,39+,40+,41+,44+,45+,46+,47+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50572240
(CHEMBL4857685) | PDB
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TBA
| Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | BDBM50503154
(CHEMBL4555447)Show SMILES Cc1ncc(CNNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(F)c3)c(C)n2)s1 Show InChI InChI=1S/C18H18F2N6O3S2/c1-10-16(9-24-31(28,29)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(27)26-23-7-12-6-21-11(2)30-12/h3-6,8,23-24H,7,9H2,1-2H3,(H,26,27) | UniProtKB/TrEMBL
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University of Bristol
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel cur... |
J Med Chem 62: 3-23 (2019)
Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290788
(CHEMBL438185 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(\C=C\C(=O)OC)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C54H84N8O17/c1-6-29(2)21-30(3)13-11-9-7-8-10-12-14-43(71)57-36-24-34(64)27-56-52(76)48-39(67)19-20-61(48)54(78)47(41(69)26-42(55)70)60-51(75)46(40(68)23-32-15-17-38(66)33(22-32)16-18-44(72)79-5)59-50(74)37-25-35(65)28-62(37)53(77)45(31(4)63)58-49(36)73/h15-18,22,29-31,34-37,39-41,45-48,63-69H,6-14,19-21,23-28H2,1-5H3,(H2,55,70)(H,56,76)(H,57,71)(H,58,73)(H,59,74)(H,60,75)/b18-16+/t29?,30?,31-,34-,35-,36-,37+,39+,40+,41+,45+,46+,47+,48+/m1/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50572240
(CHEMBL4857685) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50290780
(CHEMBL412195 | Pneumocandin analogue)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CCC(O)=O)c1)[C@@H](O)CC(N)=O Show InChI InChI=1S/C54H85N9O20/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-39(71)57-32-23-37(69)50(79)61-52(81)45-35(67)18-19-62(45)54(83)43(36(68)24-38(55)70)59-51(80)44(47(76)46(75)29-14-15-34(66)31(21-29)56-40(72)16-17-41(73)74)60-49(78)33-22-30(65)25-63(33)53(82)42(28(4)64)58-48(32)77/h14-15,21,26-28,30,32-33,35-37,42-47,50,64-69,75-76,79H,5-13,16-20,22-25H2,1-4H3,(H2,55,70)(H,56,72)(H,57,71)(H,58,77)(H,59,80)(H,60,78)(H,61,81)(H,73,74)/t26?,27?,28-,30-,32-,33+,35+,36+,37-,42+,43+,44+,45+,46-,47-,50-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. |
Bioorg Med Chem Lett 7: 2879-2884 (1997)
Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP |
More data for this
Ligand-Target Pair | |
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