Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50004500 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) | BDBM50483473
(CHEMBL1684743)Show SMILES CCCCCCCOc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O4S/c1-2-3-4-5-12-21-36-27-26(22-29-32(28(27)33)25-15-10-7-11-16-25)30-17-19-31(20-18-30)37(34,35)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483474
(CHEMBL1684740)Show SMILES O=c1c(OC2CCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H30N4O4S/c31-26-25(34-23-13-7-8-14-23)24(19-27-30(26)22-11-5-2-6-12-22)28-15-17-29(18-16-28)35(32,33)20-21-9-3-1-4-10-21/h1-6,9-12,19,23H,7-8,13-18,20H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483449
(CHEMBL1684882)Show SMILES O=c1c(OC2CCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1cccnc1 Show InChI InChI=1S/C25H29N5O4S/c31-25-24(34-22-10-4-5-11-22)23(18-27-30(25)21-8-2-1-3-9-21)28-13-15-29(16-14-28)35(32,33)19-20-7-6-12-26-17-20/h1-3,6-9,12,17-18,22H,4-5,10-11,13-16,19H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 403 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483463
(CHEMBL1684891)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(F)cc(Cl)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H28ClFN4O4S/c1-15(2)33(30,31)27-9-7-26(8-10-27)20-14-25-28(18-12-16(23)11-17(24)13-18)22(29)21(20)32-19-5-3-4-6-19/h11-15,19H,3-10H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483452
(CHEMBL1684892)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H28Cl2N4O4S/c1-15(2)33(30,31)27-9-7-26(8-10-27)20-14-25-28(18-12-16(23)11-17(24)13-18)22(29)21(20)32-19-5-3-4-6-19/h11-15,19H,3-10H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483475
(CHEMBL1684895)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(F)c2)c(=O)c1OC1CCC(F)C1 Show InChI InChI=1S/C22H28F2N4O4S/c1-15(2)33(30,31)27-10-8-26(9-11-27)20-14-25-28(18-5-3-4-16(23)12-18)22(29)21(20)32-19-7-6-17(24)13-19/h3-5,12,14-15,17,19H,6-11,13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483461
(CHEMBL1684739)Show SMILES O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C27H32N4O4S/c32-27-26(35-24-14-8-3-9-15-24)25(20-28-31(27)23-12-6-2-7-13-23)29-16-18-30(19-17-29)36(33,34)21-22-10-4-1-5-11-22/h1-2,4-7,10-13,20,24H,3,8-9,14-19,21H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483446
(CHEMBL1684889)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(Cl)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H29ClN4O4S/c1-16(2)32(29,30)26-12-10-25(11-13-26)20-15-24-27(18-7-5-6-17(23)14-18)22(28)21(20)31-19-8-3-4-9-19/h5-7,14-16,19H,3-4,8-13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483447
(CHEMBL1684898)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(F)cc(F)c2)c(=O)c1OC1CCC(F)(F)C1 Show InChI InChI=1S/C22H26F4N4O4S/c1-14(2)35(32,33)29-7-5-28(6-8-29)19-13-27-30(17-10-15(23)9-16(24)11-17)21(31)20(19)34-18-3-4-22(25,26)12-18/h9-11,13-14,18H,3-8,12H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483469
(CHEMBL1684881)Show SMILES O=c1c(OC2CCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccn1 Show InChI InChI=1S/C25H29N5O4S/c31-25-24(34-22-11-4-5-12-22)23(18-27-30(25)21-9-2-1-3-10-21)28-14-16-29(17-15-28)35(32,33)19-20-8-6-7-13-26-20/h1-3,6-10,13,18,22H,4-5,11-12,14-17,19H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483470
(CHEMBL1684897)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(F)cc(F)c2)c(=O)c1OC1CCC(F)C1 Show InChI InChI=1S/C22H27F3N4O4S/c1-14(2)34(31,32)28-7-5-27(6-8-28)20-13-26-29(18-10-16(24)9-17(25)11-18)22(30)21(20)33-19-4-3-15(23)12-19/h9-11,13-15,19H,3-8,12H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483479
(CHEMBL1684890)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(F)cc(F)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H28F2N4O4S/c1-15(2)33(30,31)27-9-7-26(8-10-27)20-14-25-28(18-12-16(23)11-17(24)13-18)22(29)21(20)32-19-5-3-4-6-19/h11-15,19H,3-10H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483448
(CHEMBL1684744)Show SMILES CCOCCOc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H30N4O5S/c1-2-33-17-18-34-24-23(19-26-29(25(24)30)22-11-7-4-8-12-22)27-13-15-28(16-14-27)35(31,32)20-21-9-5-3-6-10-21/h3-12,19H,2,13-18,20H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483472
(CHEMBL1684893)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(O)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H30N4O5S/c1-16(2)32(29,30)25-12-10-24(11-13-25)20-15-23-26(17-6-5-7-18(27)14-17)22(28)21(20)31-19-8-3-4-9-19/h5-7,14-16,19,27H,3-4,8-13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483467
(CHEMBL1684745)Show SMILES CCCCCCCSc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O3S2/c1-2-3-4-5-12-21-36-27-26(22-29-32(28(27)33)25-15-10-7-11-16-25)30-17-19-31(20-18-30)37(34,35)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483450
(CHEMBL1684888)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(F)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H29FN4O4S/c1-16(2)32(29,30)26-12-10-25(11-13-26)20-15-24-27(18-7-5-6-17(23)14-18)22(28)21(20)31-19-8-3-4-9-19/h5-7,14-16,19H,3-4,8-13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483462
(CHEMBL1684896)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(F)c2)c(=O)c1OC1CCC(F)(F)C1 Show InChI InChI=1S/C22H27F3N4O4S/c1-15(2)34(31,32)28-10-8-27(9-11-28)19-14-26-29(17-5-3-4-16(23)12-17)21(30)20(19)33-18-6-7-22(24,25)13-18/h3-5,12,14-15,18H,6-11,13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483451
(CHEMBL1684735)Show SMILES O=c1c(OC2CCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C24H27N5O4S/c30-24-23(33-20-10-4-5-11-20)21(18-26-29(24)19-8-2-1-3-9-19)27-14-16-28(17-15-27)34(31,32)22-12-6-7-13-25-22/h1-3,6-9,12-13,18,20H,4-5,10-11,14-17H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483478
(CHEMBL1684742)Show SMILES CCCCCCCc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O3S/c1-2-3-4-5-12-17-26-27(22-29-32(28(26)33)25-15-10-7-11-16-25)30-18-20-31(21-19-30)36(34,35)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483468
(CHEMBL1684884)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H30N4O4S/c1-17(2)31(28,29)25-14-12-24(13-15-25)20-16-23-26(18-8-4-3-5-9-18)22(27)21(20)30-19-10-6-7-11-19/h3-5,8-9,16-17,19H,6-7,10-15H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483453
(CHEMBL1684894)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(N)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H31N5O4S/c1-16(2)32(29,30)26-12-10-25(11-13-26)20-15-24-27(18-7-5-6-17(23)14-18)22(28)21(20)31-19-8-3-4-9-19/h5-7,14-16,19H,3-4,8-13,23H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483454
(CHEMBL1684748)Show SMILES CC1CN(CCN1c1cnn(-c2ccccc2)c(=O)c1OC1CCCCC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H34N4O4S/c1-22-20-30(37(34,35)21-23-11-5-2-6-12-23)17-18-31(22)26-19-29-32(24-13-7-3-8-14-24)28(33)27(26)36-25-15-9-4-10-16-25/h2-3,5-8,11-14,19,22,25H,4,9-10,15-18,20-21H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483464
(CHEMBL1684738)Show SMILES O=c1c(C2CCCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C27H32N4O3S/c32-27-26(23-12-6-2-7-13-23)25(20-28-31(27)24-14-8-3-9-15-24)29-16-18-30(19-17-29)35(33,34)21-22-10-4-1-5-11-22/h1,3-5,8-11,14-15,20,23H,2,6-7,12-13,16-19,21H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483476
(CHEMBL1684741)Show SMILES CCOCCCNc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H33N5O4S/c1-2-35-19-9-14-27-25-24(20-28-31(26(25)32)23-12-7-4-8-13-23)29-15-17-30(18-16-29)36(33,34)21-22-10-5-3-6-11-22/h3-8,10-13,20,27H,2,9,14-19,21H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483455
(CHEMBL1684736)Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C20H26N4O4S/c1-29(26,27)23-13-11-22(12-14-23)18-15-21-24(16-7-3-2-4-8-16)20(25)19(18)28-17-9-5-6-10-17/h2-4,7-8,15,17H,5-6,9-14H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483456
(CHEMBL1684749)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)Cc1ccccc1)c1cnn(-c2ccccc2)c(=O)c1OC1CCCCC1 |r| Show InChI InChI=1S/C28H34N4O4S/c1-22-20-30(17-18-31(22)37(34,35)21-23-11-5-2-6-12-23)26-19-29-32(24-13-7-3-8-14-24)28(33)27(26)36-25-15-9-4-10-16-25/h2-3,5-8,11-14,19,22,25H,4,9-10,15-18,20-21H2,1H3/t22-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483457
(CHEMBL1684746)Show SMILES CCCCCCC[S+]([O-])c1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O4S2/c1-2-3-4-5-12-21-37(34)27-26(22-29-32(28(27)33)25-15-10-7-11-16-25)30-17-19-31(20-18-30)38(35,36)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483458
(CHEMBL1684750)Show SMILES C[C@H]1CN(CCN1S(=O)(=O)Cc1ccccc1)c1cnn(-c2ccccc2)c(=O)c1OC1CCCCC1 |r| Show InChI InChI=1S/C28H34N4O4S/c1-22-20-30(17-18-31(22)37(34,35)21-23-11-5-2-6-12-23)26-19-29-32(24-13-7-3-8-14-24)28(33)27(26)36-25-15-9-4-10-16-25/h2-3,5-8,11-14,19,22,25H,4,9-10,15-18,20-21H2,1H3/t22-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483465
(CHEMBL1684737)Show SMILES O=c1c(N2CCOCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H29N5O4S/c31-25-24(28-15-17-34-18-16-28)23(19-26-30(25)22-9-5-2-6-10-22)27-11-13-29(14-12-27)35(32,33)20-21-7-3-1-4-8-21/h1-10,19H,11-18,20H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483459
(CHEMBL1684886)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccnc2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-16(2)31(28,29)25-12-10-24(11-13-25)19-15-23-26(17-6-5-9-22-14-17)21(27)20(19)30-18-7-3-4-8-18/h5-6,9,14-16,18H,3-4,7-8,10-13H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483480
(CHEMBL1684747)Show SMILES CCCCCCCS(=O)(=O)c1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O5S2/c1-2-3-4-5-12-21-38(34,35)27-26(22-29-32(28(27)33)25-15-10-7-11-16-25)30-17-19-31(20-18-30)39(36,37)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483471
(CHEMBL1684880)Show SMILES O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CC2CC1CN2S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H32N4O4S/c33-28-27(36-25-14-8-3-9-15-25)26(17-29-32(28)22-12-6-2-7-13-22)30-18-24-16-23(30)19-31(24)37(34,35)20-21-10-4-1-5-11-21/h1-2,4-7,10-13,17,23-25H,3,8-9,14-16,18-20H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483466
(CHEMBL1684885)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(C2CCCCC2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C22H36N4O4S/c1-17(2)31(28,29)25-14-12-24(13-15-25)20-16-23-26(18-8-4-3-5-9-18)22(27)21(20)30-19-10-6-7-11-19/h16-19H,3-15H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483477
(CHEMBL1684883)Show SMILES O=c1c(OC2CCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H28N4O4S/c30-25-24(33-21-11-7-8-12-21)23(19-26-29(25)20-9-3-1-4-10-20)27-15-17-28(18-16-27)34(31,32)22-13-5-2-6-14-22/h1-6,9-10,13-14,19,21H,7-8,11-12,15-18H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50483460
(CHEMBL1684887)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2nccs2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C19H27N5O4S2/c1-14(2)30(26,27)23-10-8-22(9-11-23)16-13-21-24(19-20-7-12-29-19)18(25)17(16)28-15-5-3-4-6-15/h7,12-15H,3-6,8-11H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase |
Bioorg Med Chem Lett 21: 1819-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG |
More data for this
Ligand-Target Pair | |
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