Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50004659 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-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485331
(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
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87.9 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485333
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91.4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485327
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 97.2 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485326
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485336
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485328
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485338
(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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485335
(CHEMBL2046748)Show SMILES COc1cc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)ccc1N Show InChI InChI=1S/C27H35ClN6O5S/c1-27(8-9-27)18-39-25(26(35)32-21-5-3-4-20(28)15-21)23(16-29)33-10-12-34(13-11-33)40(36,37)31-17-19-6-7-22(30)24(14-19)38-2/h3-7,14-16,29,31H,8-13,17-18,30H2,1-2H3,(H,32,35)/b25-23-,29-16? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485337
(CHEMBL2046737)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2cccnc2)CC1 Show InChI InChI=1S/C25H31ClN6O4S/c1-25(7-8-25)18-36-23(24(33)30-21-6-2-5-20(26)14-21)22(15-27)31-10-12-32(13-11-31)37(34,35)29-17-19-4-3-9-28-16-19/h2-6,9,14-16,27,29H,7-8,10-13,17-18H2,1H3,(H,30,33)/b23-22-,27-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485324
(CHEMBL2046743)Show SMILES COc1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1N Show InChI InChI=1S/C27H35ClN6O5S/c1-27(8-9-27)18-39-25(26(35)32-21-5-3-4-20(28)15-21)23(16-29)33-10-12-34(13-11-33)40(36,37)31-17-19-6-7-24(38-2)22(30)14-19/h3-7,14-16,29,31H,8-13,17-18,30H2,1-2H3,(H,32,35)/b25-23-,29-16? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485332
(CHEMBL2046735)Show SMILES COc1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1OC Show InChI InChI=1S/C28H36ClN5O6S/c1-28(9-10-28)19-40-26(27(35)32-22-6-4-5-21(29)16-22)23(17-30)33-11-13-34(14-12-33)41(36,37)31-18-20-7-8-24(38-2)25(15-20)39-3/h4-8,15-17,30-31H,9-14,18-19H2,1-3H3,(H,32,35)/b26-23-,30-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485339
(CHEMBL2046741)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccc(F)c(N)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)31-16-18-5-6-21(28)22(30)13-18/h2-6,13-15,29,31H,7-12,16-17,30H2,1H3,(H,32,35)/b24-23-,29-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485318
(CHEMBL2046600)Show SMILES CC(C)NS(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C22H32ClN5O4S/c1-16(2)26-33(30,31)28-12-10-27(11-13-28)20(15-24)21(32-19-8-3-4-9-19)22(29)25-18-7-5-6-17(23)14-18/h5-7,14-16,19,24,26H,3-4,8-13H2,1-2H3,(H,25,29)/b21-20-,24-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 361 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485322
(CHEMBL2046739)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C27H31ClN6O4S2/c1-27(9-10-27)18-38-25(26(35)31-20-6-4-5-19(28)15-20)22(16-29)33-11-13-34(14-12-33)40(36,37)30-17-24-32-21-7-2-3-8-23(21)39-24/h2-8,15-16,29-30H,9-14,17-18H2,1H3,(H,31,35)/b25-22-,29-16? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485325
(CHEMBL2046744)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccnc(N)c2)CC1 Show InChI InChI=1S/C25H32ClN7O4S/c1-25(6-7-25)17-37-23(24(34)31-20-4-2-3-19(26)14-20)21(15-27)32-9-11-33(12-10-32)38(35,36)30-16-18-5-8-29-22(28)13-18/h2-5,8,13-15,27,30H,6-7,9-12,16-17H2,1H3,(H2,28,29)(H,31,34)/b23-21-,27-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485334
(CHEMBL2046745)Show SMILES CC(NS(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OCC1(C)CC1)C(=O)Nc1cccc(Cl)c1)c1cccc(N)c1 Show InChI InChI=1S/C27H35ClN6O4S/c1-19(20-5-3-7-22(30)15-20)32-39(36,37)34-13-11-33(12-14-34)24(17-29)25(38-18-27(2)9-10-27)26(35)31-23-8-4-6-21(28)16-23/h3-8,15-17,19,29,32H,9-14,18,30H2,1-2H3,(H,31,35)/b25-24-,29-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485321
(CHEMBL2046734)Show SMILES COC(=O)c1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C28H34ClN5O6S/c1-28(10-11-28)19-40-25(26(35)32-23-5-3-4-22(29)16-23)24(17-30)33-12-14-34(15-13-33)41(37,38)31-18-20-6-8-21(9-7-20)27(36)39-2/h3-9,16-17,30-31H,10-15,18-19H2,1-2H3,(H,32,35)/b25-24-,30-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 529 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485317
(CHEMBL2046598)Show SMILES CCN(CC)S(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C23H34ClN5O4S/c1-3-28(4-2)34(31,32)29-14-12-27(13-15-29)21(17-25)22(33-20-10-5-6-11-20)23(30)26-19-9-7-8-18(24)16-19/h7-9,16-17,20,25H,3-6,10-15H2,1-2H3,(H,26,30)/b22-21-,25-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 624 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485323
(CHEMBL2046740)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2nc3cc(Cl)ccc3o2)CC1 Show InChI InChI=1S/C27H30Cl2N6O5S/c1-27(7-8-27)17-39-25(26(36)32-20-4-2-3-18(28)13-20)22(15-30)34-9-11-35(12-10-34)41(37,38)31-16-24-33-21-14-19(29)5-6-23(21)40-24/h2-6,13-15,30-31H,7-12,16-17H2,1H3,(H,32,36)/b25-22-,30-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485316
(CHEMBL2046597)Show SMILES CC(C)N(C)S(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C23H34ClN5O4S/c1-17(2)27(3)34(31,32)29-13-11-28(12-14-29)21(16-25)22(33-20-9-4-5-10-20)23(30)26-19-8-6-7-18(24)15-19/h6-8,15-17,20,25H,4-5,9-14H2,1-3H3,(H,26,30)/b22-21-,25-16? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485329
(CHEMBL2046596)Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H30ClN5O4S/c1-25(2)32(29,30)27-12-10-26(11-13-27)19(15-23)20(31-18-8-3-4-9-18)21(28)24-17-7-5-6-16(22)14-17/h5-7,14-15,18,23H,3-4,8-13H2,1-2H3,(H,24,28)/b20-19-,23-15? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485330
(CHEMBL2046599)Show SMILES Clc1cccc(NC(=O)C(\OC2CCCC2)=C(/C=N)N2CCN(CC2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C23H32ClN5O5S/c24-18-4-3-5-19(16-18)26-23(30)22(34-20-6-1-2-7-20)21(17-25)27-8-10-28(11-9-27)35(31,32)29-12-14-33-15-13-29/h3-5,16-17,20,25H,1-2,6-15H2,(H,26,30)/b22-21-,25-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.85E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485320
(CHEMBL2046604)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C26H32ClN5O4S/c1-26(10-11-26)19-36-24(25(33)30-22-9-5-8-21(27)16-22)23(17-28)31-12-14-32(15-13-31)37(34,35)29-18-20-6-3-2-4-7-20/h2-9,16-17,28-29H,10-15,18-19H2,1H3,(H,30,33)/b24-23-,28-17? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485319
(CHEMBL2046601)Show SMILES NS(=O)(=O)N1CCN(CC1)C(\C=N)=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H26ClN5O4S/c20-14-4-3-5-15(12-14)23-19(26)18(29-16-6-1-2-7-16)17(13-21)24-8-10-25(11-9-24)30(22,27)28/h3-5,12-13,16,21H,1-2,6-11H2,(H,23,26)(H2,22,27,28)/b18-17-,21-13? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.16E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
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