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PubChem AID 2423

Compile data set for download or QSAR
Found 142 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
heat shock protein 90


(Candida albicans)
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64883
PNG
(1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCn1c2ccccc2c(O)c(C(=O)NCc2cccnc2)c1=O
Show InChI InChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM49181
PNG
(5-(4-Benzyl-piperazin-1-ylmethyl)-quinolin-8-ol | ...)
Show SMILES Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12
Show InChI InChI=1S/C21H23N3O/c25-20-9-8-18(19-7-4-10-22-21(19)20)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64889
PNG
(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Show SMILES CC(C)CCNC(=O)C(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
Show InChI InChI=1S/C23H26FN5O4S/c1-13(2)9-10-27-22(31)19(16-4-3-11-33-16)29(12-14-5-7-15(24)8-6-14)23(32)20-17(25)18(21(26)30)28-34-20/h3-8,11,13,19H,9-10,12,25H2,1-2H3,(H2,26,30)(H,27,31)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM51482
PNG
(5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thi...)
Show SMILES CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C
Show InChI InChI=1S/C21H22N4O5S/c1-4-9-30-20(27)17-13(3)24-19(31-12-16(26)25-21(28)29-5-2)15(10-22)18(17)14-7-6-8-23-11-14/h4,6-8,11,15,18H,1,5,9,12H2,2-3H3,(H,25,26,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64902
PNG
((6E)-6-[5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol...)
Show SMILES COc1ccc(cc1OC)-c1cc(n[nH]1)-c1cc(F)ccc1O
Show InChI InChI=1S/C17H15FN2O3/c1-22-16-6-3-10(7-17(16)23-2)13-9-14(20-19-13)12-8-11(18)4-5-15(12)21/h3-9,21H,1-2H3,(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64541
PNG
(1-[2-(dimethylamino)ethylamino]-3-methyl-2-prop-2-...)
Show SMILES CN(C)CCNc1c(CC=C)c(C)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C20H23N5/c1-5-8-15-14(2)16(13-21)20-23-17-9-6-7-10-18(17)25(20)19(15)22-11-12-24(3)4/h5-7,9-10,22H,1,8,11-12H2,2-4H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34278
PNG
(1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyph...)
Show SMILES CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-3-22-18(13-6-4-5-7-17(13)26-2)20-21-19(22)27-11-16(25)12-8-9-14(23)15(24)10-12/h4-10,23-24H,3,11H2,1-2H3
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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64542
PNG
(5-(dimethylcarbamoyloxy)-2-methyl-benzofuran-3-car...)
Show SMILES CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
Show InChI InChI=1S/C16H19NO5/c1-9(2)20-15(18)14-10(3)21-13-7-6-11(8-12(13)14)22-16(19)17(4)5/h6-9H,1-5H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM37694
PNG
(5-(2,4-dimethoxyphenyl)-N-(4-methoxy-1,3-benzothia...)
Show SMILES COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1
Show InChI InChI=1S/C18H16N4O4S/c1-23-10-7-8-11(13(9-10)25-3)16-21-22-17(26-16)20-18-19-15-12(24-2)5-4-6-14(15)27-18/h4-9H,1-3H3,(H,19,20,22)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64548
PNG
(MLS000087310 | N-(3-cyano-4,5,6,7-tetrahydro-1-ben...)
Show SMILES Cc1cc(no1)C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C14H13N3O2S/c1-8-6-11(17-19-8)13(18)16-14-10(7-15)9-4-2-3-5-12(9)20-14/h6H,2-5H2,1H3,(H,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38979
PNG
(5-(benzoxymethyl)-7-(morpholinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C22H24N2O3/c25-22-18(14-24-9-11-26-12-10-24)13-19(20-7-4-8-23-21(20)22)16-27-15-17-5-2-1-3-6-17/h1-8,13,25H,9-12,14-16H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38850
PNG
(2-(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophen-3-ylsu...)
Show SMILES Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc2ccccc12
Show InChI InChI=1S/C16H12N2O2S2/c1-18-13-8-4-3-7-12(13)17-16(18)21-14-10-22(19,20)15-9-5-2-6-11(14)15/h2-10H,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64880
PNG
(MLS000030728 | N-[4-(2-Methyl-piperidine-1-sulfony...)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1
Show InChI InChI=1S/C20H22N6O3S/c1-15-5-2-3-12-26(15)30(28,29)19-10-8-17(9-11-19)22-20(27)16-6-4-7-18(13-16)25-14-21-23-24-25/h4,6-11,13-15H,2-3,5,12H2,1H3,(H,22,27)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM42465
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64882
PNG
(1-[2-(4-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyr...)
Show SMILES CCOC(=O)C1CCCN(C1)c1cc(C)nc2cc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN4O2/c1-3-28-21(27)16-5-4-10-25(13-16)20-11-14(2)23-19-12-18(24-26(19)20)15-6-8-17(22)9-7-15/h6-9,11-12,16H,3-5,10,13H2,1-2H3
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64537
PNG
(MLS000029439 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1
Show InChI InChI=1S/C16H17N5OS2/c1-3-14-19-20-15(24-14)18-13(22)10-23-16-17-9-12(21(16)2)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,18,20,22)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64886
PNG
(2-Oxo-2H-chromene-3-carboxylic acid cyclopropyl-(3...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-7-4-5-14(11-17)13-22(16-9-10-16)20(23)18-12-15-6-2-3-8-19(15)26-21(18)24/h2-8,11-12,16H,9-10,13H2,1H3
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM37650
PNG
(3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H20N2O7/c1-13-10-20(26-34-13)27-22(16-12-15(31-2)8-9-18(16)32-3)21(24(29)25(27)30)23(28)19-11-14-6-4-5-7-17(14)33-19/h4-12,21-22H,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM41139
PNG
(2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1
Show InChI InChI=1S/C22H23N5O2S/c1-13-7-8-18(14(2)9-13)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-6-4-3-5-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64901
PNG
(3-(benzylthio)-4-(2-furfuryl)-5-(2-thienyl)-1,2,4-...)
Show SMILES C(Sc1nnc(-c2cccs2)n1Cc1ccco1)c1ccccc1
Show InChI InChI=1S/C18H15N3OS2/c1-2-6-14(7-3-1)13-24-18-20-19-17(16-9-5-11-23-16)21(18)12-15-8-4-10-22-15/h1-11H,12-13H2
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n/an/an/an/a 4.72E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64913
PNG
((3aR,6aS)-5'-chloranyl-5-cyclopentyl-7'-methyl-1-(...)
Show SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C1CCCC1)C3=O)C(=O)Nc1c2cc(Cl)cc1C
Show InChI InChI=1S/C22H26ClN3O3S/c1-11-9-12(23)10-14-18(11)24-21(29)22(14)17-16(15(25-22)7-8-30-2)19(27)26(20(17)28)13-5-3-4-6-13/h9-10,13,15-17,25H,3-8H2,1-2H3,(H,24,29)/t15?,16-,17+,22?/m1/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM39962
PNG
(7-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylme...)
Show SMILES Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
Show InChI InChI=1S/C21H16N4OS2/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)23-21(25)28-13-15-12-19(26)24-9-10-27-20(24)22-15/h2-12H,13H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64915
PNG
((5Z)-5-[5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol...)
Show SMILES COc1ccc(cc1OC)-c1cc(n[nH]1)-c1c(O)c(OC)c2occc2c1OC
Show InChI InChI=1S/C21H20N2O6/c1-25-15-6-5-11(9-16(15)26-2)13-10-14(23-22-13)17-18(24)21(28-4)20-12(7-8-29-20)19(17)27-3/h5-10,24H,1-4H3,(H,22,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38931
PNG
(6-methyl-2-[3-methyl-5-(4-methylanilino)-1-pyrazol...)
Show SMILES Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)18-14-8-12(3)20-21(14)16-17-11(2)9-15(22)19-16/h4-9,18H,1-3H3,(H,17,19,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64544
PNG
(7-[(1,3-benzothiazol-2-ylamino)-(2-furanyl)methyl]...)
Show SMILES Oc1c(ccc2cccnc12)C(Nc1nc2ccccc2s1)c1ccco1
Show InChI InChI=1S/C21H15N3O2S/c25-20-14(10-9-13-5-3-11-22-18(13)20)19(16-7-4-12-26-16)24-21-23-15-6-1-2-8-17(15)27-21/h1-12,19,25H,(H,23,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM36994
PNG
(5-(3,4-dimethoxyphenyl)-3-(4-pyridyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38945
PNG
(2-thenyl(thieno[2,3-d]pyrimidin-4-yl)amine | MLS00...)
Show SMILES C(Nc1ncnc2sccc12)c1cccs1
Show InChI InChI=1S/C11H9N3S2/c1-2-8(15-4-1)6-12-10-9-3-5-16-11(9)14-7-13-10/h1-5,7H,6H2,(H,12,13,14)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64926
PNG
(4-(1-azepanylsulfonyl)-N-[5-(methoxymethyl)-1,3,4-...)
Show SMILES COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)o1
Show InChI InChI=1S/C17H22N4O5S/c1-25-12-15-19-20-17(26-15)18-16(22)13-6-8-14(9-7-13)27(23,24)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,18,20,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34201
PNG
(4-[2-(2,5-Dimethoxy-phenylamino)-thiazol-4-yl]-ben...)
Show SMILES COc1ccc(OC)c(Nc2nc(cs2)-c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C17H16N2O4S/c1-22-11-4-6-16(23-2)12(8-11)18-17-19-13(9-24-17)10-3-5-14(20)15(21)7-10/h3-9,20-21H,1-2H3,(H,18,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64884
PNG
(1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4-methyl-5-phe...)
Show SMILES Cn1c(SCC(=O)N2CCCc3ccccc23)nnc1-c1ccccc1
Show InChI InChI=1S/C20H20N4OS/c1-23-19(16-9-3-2-4-10-16)21-22-20(23)26-14-18(25)24-13-7-11-15-8-5-6-12-17(15)24/h2-6,8-10,12H,7,11,13-14H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64890
PNG
((4-Benzyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfa...)
Show SMILES O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)OC1CCCCC1
Show InChI InChI=1S/C21H23N3O3S/c25-19(27-17-10-5-2-6-11-17)15-28-21-23-22-20(18-12-7-13-26-18)24(21)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64895
PNG
(1-(2,4-dichlorophenyl)-2-(5-ethanoyl-1,2,4-triazol...)
Show SMILES CC(=O)c1ncnn1CC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H9Cl2N3O2/c1-7(18)12-15-6-16-17(12)5-11(19)9-3-2-8(13)4-10(9)14/h2-4,6H,5H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64898
PNG
((6Z)-6-(6-methyl-4-phenoxy-1H-pyrimidin-2-ylidene)...)
Show SMILES Cc1cc(Oc2ccccc2)nc(n1)-c1ccccc1O
Show InChI InChI=1S/C17H14N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h2-11,20H,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM37653
PNG
(3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl...)
Show SMILES COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC
Show InChI InChI=1S/C25H20N2O7/c1-13-11-19(26-34-13)27-21(15-8-6-10-17(31-2)24(15)32-3)20(23(29)25(27)30)22(28)18-12-14-7-4-5-9-16(14)33-18/h4-12,20-21H,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64904
PNG
(1-[(3-phenoxyphenyl)methylideneamino]-1,2,3,4-tetr...)
Show SMILES Nc1nnnn1N=Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C14H12N6O/c15-14-17-18-19-20(14)16-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,15,17,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64543
PNG
(2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)e...)
Show SMILES Oc1ccc(C(=O)Cc2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-9-5-6-10(12(18)7-9)13(19)8-15-16-11-3-1-2-4-14(11)20-15/h1-7,17-18H,8H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64916
PNG
(2-(2,5-dimethylphenyl)sulfanyl-N-(5-phenyl-1,3,4-o...)
Show SMILES Cc1ccc(C)c(SCC(=O)Nc2nnc(o2)-c2ccccc2)c1
Show InChI InChI=1S/C18H17N3O2S/c1-12-8-9-13(2)15(10-12)24-11-16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22)
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n/an/an/an/a 2.25E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM49030
PNG
(5,6-bis(azanyl)-8-(diethylamino)-2-phenyl-1,2-dihy...)
Show SMILES CCN(CC)c1nc(N)c2c(N)nc3OC(Cc3c2c1C#N)c1ccccc1
Show InChI InChI=1S/C21H22N6O/c1-3-27(4-2)20-14(11-22)16-13-10-15(12-8-6-5-7-9-12)28-21(13)26-19(24)17(16)18(23)25-20/h5-9,15H,3-4,10H2,1-2H3,(H2,23,25)(H2,24,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38954
PNG
(1,2-benzothiazol-3-amine | 1,2-benzothiazol-3-ylam...)
Show SMILES Nc1nsc2ccccc12
Show InChI InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM44642
PNG
(4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-tr...)
Show SMILES CCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(n2)N(C)C)cc1
Show InChI InChI=1S/C18H25N5O3/c1-7-25-14(24)12-8-10-13(11-9-12)26-17-20-15(22-18(2,3)4)19-16(21-17)23(5)6/h8-11H,7H2,1-6H3,(H,19,20,21,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64931
PNG
(4-methoxy-N-(4-methylphenyl)-N-[(2-oxidanylidenepy...)
Show SMILES COc1ccc(cc1)C(=O)N(CN1CCCC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N2O3/c1-15-5-9-17(10-6-15)22(14-21-13-3-4-19(21)23)20(24)16-7-11-18(25-2)12-8-16/h5-12H,3-4,13-14H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM60211
PNG
(4-(1-pyrrolidinylsulfonyl)-N-(8-quinolinyl)benzene...)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H19N3O4S2/c23-27(24,21-18-7-3-5-15-6-4-12-20-19(15)18)16-8-10-17(11-9-16)28(25,26)22-13-1-2-14-22/h3-12,21H,1-2,13-14H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64872
PNG
(1-(4-fluorophenyl)-3-[1-[(1-piperonyltetrazol-5-yl...)
Show SMILES Fc1ccc(NC(=O)NC2CCN(Cc3nnnn3Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C22H24FN7O3/c23-16-2-4-17(5-3-16)24-22(31)25-18-7-9-29(10-8-18)13-21-26-27-28-30(21)12-15-1-6-19-20(11-15)33-14-32-19/h1-6,11,18H,7-10,12-14H2,(H2,24,25,31)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64874
PNG
(2-amino-4-(3-pyridinyl)-4H-pyrano[3,2-h]quinoline-...)
Show SMILES N=C1Oc2c(ccc3cccnc23)C(C1C#N)c1cccnc1
Show InChI InChI=1S/C18H12N4O/c19-9-14-15(12-4-1-7-21-10-12)13-6-5-11-3-2-8-22-16(11)17(13)23-18(14)20/h1-8,10,14-15,20H
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64891
PNG
(MLS000028236 | N-(1,3-benzodioxol-5-yl)-N-[1-(4-ch...)
Show SMILES Clc1ccc(cc1)C(N(C(=O)c1cnccn1)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H25ClN4O4/c27-18-8-6-17(7-9-18)24(25(32)30-19-4-2-1-3-5-19)31(26(33)21-15-28-12-13-29-21)20-10-11-22-23(14-20)35-16-34-22/h6-15,19,24H,1-5,16H2,(H,30,32)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64893
PNG
(2-(4-Chloro-phenoxy)-N-(2-oxo-tetrahydro-thiophen-...)
Show SMILES Clc1ccc(OCC(=O)NC2CCSC2=O)cc1
Show InChI InChI=1S/C12H12ClNO3S/c13-8-1-3-9(4-2-8)17-7-11(15)14-10-5-6-18-12(10)16/h1-4,10H,5-7H2,(H,14,15)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64894
PNG
(1-(4-methoxyphenyl)-2-phenyl-3-(1-pyrrolidinyl)-1-...)
Show SMILES COc1ccc(cc1)C(=O)C(CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-23-18-11-9-17(10-12-18)20(22)19(15-21-13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,19H,5-6,13-15H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64900
PNG
(4-hydroximino-3-phenyl-valeric acid ethyl ester | ...)
Show SMILES CCOC(=O)CC(C(C)N=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3/c1-3-17-13(15)9-12(10(2)14-16)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64905
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C18H14BrN5OS/c19-14-5-3-13(4-6-14)12-26-18-23-22-17(16-10-20-7-8-21-16)24(18)11-15-2-1-9-25-15/h1-10H,11-12H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64914
PNG
(3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-amin...)
Show SMILES CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O
Show InChI InChI=1S/C16H20N4O6/c1-5-6-20-13(17)12(14(22)19(4)16(20)24)10(21)7-25-15(23)11-8(2)18-26-9(11)3/h5-7,17H2,1-4H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64918
PNG
(2-[[oxo(3-pyridinyl)methyl]amino]-4-thiophen-2-yl-...)
Show SMILES COC(=O)c1c(NC(=O)c2cccnc2)scc1-c1cccs1
Show InChI InChI=1S/C16H12N2O3S2/c1-21-16(20)13-11(12-5-3-7-22-12)9-23-15(13)18-14(19)10-4-2-6-17-8-10/h2-9H,1H3,(H,18,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64920
PNG
(8-chloranyl-6-phenyl-1,2,4,6-tetrahydropyrazino[2,...)
Show SMILES Clc1ccc2N=C3CNC(=O)CN3C(c3ccccc3)c2c1
Show InChI InChI=1S/C17H14ClN3O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)21-10-16(22)19-9-15(21)20-14/h1-8,17H,9-10H2,(H,19,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM37000
PNG
(6-[3-(cyclopentylideneamino)-2-ethylimino-1,3-thia...)
Show SMILES CCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C1CCCC1
Show InChI InChI=1S/C18H20N4O2S/c1-2-19-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16-14(9-12)20-17(23)10-24-16/h7-9,11H,2-6,10H2,1H3,(H,20,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34593
PNG
(7-[4-morpholinyl(2-pyridinyl)methyl]-8-quinolinol ...)
Show SMILES Oc1c(ccc2cccnc12)C(N1CCOCC1)c1ccccn1
Show InChI InChI=1S/C19H19N3O2/c23-19-15(7-6-14-4-3-9-21-17(14)19)18(16-5-1-2-8-20-16)22-10-12-24-13-11-22/h1-9,18,23H,10-13H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64546
PNG
(4-ethyl-3-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]p...)
Show SMILES CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O
Show InChI InChI=1S/C15H13N5OS3/c1-3-20-14(21)18-19-15(20)24-13-11-9(10-5-4-6-22-10)7-23-12(11)16-8(2)17-13/h4-7H,3H2,1-2H3,(H,18,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64922
PNG
(3-methyl-2-thiophenecarboxylic acid [2-[(3-carbamo...)
Show SMILES Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O
Show InChI InChI=1S/C13H12N2O4S2/c1-7-2-4-20-10(7)13(18)19-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM49129
PNG
(7-[(4-methyl-1-piperazinyl)-(3-pyridinyl)methyl]-8...)
Show SMILES CN1CCN(CC1)C(c1cccnc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)19(16-5-2-8-21-14-16)17-7-6-15-4-3-9-22-18(15)20(17)25/h2-9,14,19,25H,10-13H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64932
PNG
(4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
Show InChI InChI=1S/C20H20N4O4S/c1-24(13-14-5-3-2-4-6-14)29(26,27)17-11-9-15(10-12-17)18(25)21-20-23-22-19(28-20)16-7-8-16/h2-6,9-12,16H,7-8,13H2,1H3,(H,21,23,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM43949
PNG
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-...)
Show SMILES O=C(N1CCC2(CC1)OCCO2)c1cc2COc3ccccc3-c2s1
Show InChI InChI=1S/C19H19NO4S/c21-18(20-7-5-19(6-8-20)23-9-10-24-19)16-11-13-12-22-15-4-2-1-3-14(15)17(13)25-16/h1-4,11H,5-10,12H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM56983
PNG
(4-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,3,4-oxad...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C)o1
Show InChI InChI=1S/C18H18N4O4S/c1-13-20-21-18(26-13)19-17(23)15-8-10-16(11-9-15)27(24,25)22(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,21,23)
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Broad Institute

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Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM49239
PNG
(5-(benzoxymethyl)-7-[(4-methylpiperazino)methyl]qu...)
Show SMILES CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
Show InChI InChI=1S/C23H27N3O2/c1-25-10-12-26(13-11-25)15-19-14-20(17-28-16-18-6-3-2-4-7-18)21-8-5-9-24-22(21)23(19)27/h2-9,14,27H,10-13,15-17H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64941
PNG
(2-[3-(2-amino-2-keto-ethyl)-1-adamantyl]acetamide ...)
Show SMILES NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2
Show InChI InChI=1S/C14H22N2O2/c15-11(17)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(16)18/h9-10H,1-8H2,(H2,15,17)(H2,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64942
PNG
(2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinaz...)
Show SMILES CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(cc2c1=O)N1CCOCC1
Show InChI InChI=1S/C25H30N4O4S/c1-3-4-10-29-24(31)21-16-19(28-11-13-33-14-12-28)8-9-22(21)27-25(29)34-17-23(30)26-18-6-5-7-20(15-18)32-2/h5-9,15-16H,3-4,10-14,17H2,1-2H3,(H,26,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34197
PNG
(6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]qu...)
Show SMILES Oc1c(C(=O)NCCc2ccccc2)c(=O)c2cccc3CCn1c23
Show InChI InChI=1S/C20H18N2O3/c23-18-15-8-4-7-14-10-12-22(17(14)15)20(25)16(18)19(24)21-11-9-13-5-2-1-3-6-13/h1-8,25H,9-12H2,(H,21,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64878
PNG
(3-(4-Methyl-benzyl)-5-[1-(toluene-4-sulfonyl)-pipe...)
Show SMILES Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H26N6O3S/c1-16-3-7-18(8-4-16)15-30-23-21(27-28-30)24(31)26-22(25-23)19-11-13-29(14-12-19)34(32,33)20-9-5-17(2)6-10-20/h3-10,19H,11-15H2,1-2H3,(H,25,26,31)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34569
PNG
(1-(8-Hydroxy-quinolin-5-ylmethyl)-piperidine-4-car...)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C18H22N2O3/c1-2-23-18(22)13-7-10-20(11-8-13)12-14-5-6-16(21)17-15(14)4-3-9-19-17/h3-6,9,13,21H,2,7-8,10-12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64892
PNG
(1-(3-Chloro-phenyl)-3-thiazol-2-yl-urea | 1-(3-chl...)
Show SMILES Clc1cccc(NC(=O)Nc2nccs2)c1
Show InChI InChI=1S/C10H8ClN3OS/c11-7-2-1-3-8(6-7)13-9(15)14-10-12-4-5-16-10/h1-6H,(H2,12,13,14,15)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM53663
PNG
(2-N-(3-acetamidophenyl)-1-N-(4-chlorophenyl)pyrrol...)
Show SMILES CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H21ClN4O3/c1-13(26)22-16-4-2-5-17(12-16)23-19(27)18-6-3-11-25(18)20(28)24-15-9-7-14(21)8-10-15/h2,4-5,7-10,12,18H,3,6,11H2,1H3,(H,22,26)(H,23,27)(H,24,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38870
PNG
((7S,12R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo...)
Show SMILES C[C@H]1CCCC=CC2C[C@H](O)CC2[C@H](O)C=CC(=O)O1
Show InChI InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/t11-,12?,13-,14?,15+/m0/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34573
PNG
((1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]...)
Show SMILES [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1
Show InChI InChI=1S/C18H19N3O/c22-21-17-10-9-15(19-14-7-3-1-4-8-14)13-16(17)20-18(21)11-5-2-6-12-18/h1,3-4,7-10,13,19H,2,5-6,11-12H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM40585
PNG
(MLS000038587 | SMR000038600 | cid_657644)
Show SMILES NC(=O)C(C#N)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1
Show InChI InChI=1S/C22H24N4O/c23-13-17(21(24)27)14-8-9-18-20(12-14)26-19-7-2-1-5-15(19)11-16-6-3-4-10-22(16,26)25-18/h8-9,12,16H,1-7,10-11H2,(H2,24,27)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64896
PNG
(4-(hydroxymethyl)-8-quinolinol | 4-(hydroxymethyl)...)
Show SMILES OCc1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H9NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-5,12-13H,6H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64539
PNG
((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...)
Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1
Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64903
PNG
(MLS000040320 | SMR000043552 | [butoxy-[4-(dimethyl...)
Show SMILES CCCCOP(=O)(C(O)c1ccccc1F)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H25FNO3P/c1-4-5-14-24-25(23,16-12-10-15(11-13-16)21(2)3)19(22)17-8-6-7-9-18(17)20/h6-13,19,22H,4-5,14H2,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM56932
PNG
((6Z)-3-(2-methylallyloxy)-6-(5-methyl-4-phenyl-3-p...)
Show SMILES CC(=C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
Show InChI InChI=1S/C20H20N2O2/c1-13(2)12-24-16-9-10-17(18(23)11-16)20-19(14(3)21-22-20)15-7-5-4-6-8-15/h4-11,23H,1,12H2,2-3H3,(H,21,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM42674
PNG
(MLS000058383 | N-(1,3-thiazol-2-yl)-2-(3,4,5-trime...)
Show SMILES COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
Show InChI InChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM53687
PNG
(3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-...)
Show SMILES CSc1ncc(Cl)c(n1)C(=O)C(C#N)c1nc2c(C)cc(C)cc2c(=O)[nH]1
Show InChI InChI=1S/C18H14ClN5O2S/c1-8-4-9(2)13-10(5-8)17(26)24-16(22-13)11(6-20)15(25)14-12(19)7-21-18(23-14)27-3/h4-5,7,11H,1-3H3,(H,22,24,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64921
PNG
(MLS000056174 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2...)
Show SMILES CCc1nnc(NC(=O)Cn2ccc(n2)C(F)(F)F)s1
Show InChI InChI=1S/C10H10F3N5OS/c1-2-8-15-16-9(20-8)14-7(19)5-18-4-3-6(17-18)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,16,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64924
PNG
(4-[(4-keto-2-thioxo-thiazolidin-3-yl)methyl]benzoi...)
Show SMILES OC(=O)c1ccc(Cn2c(O)csc2=S)cc1
Show InChI InChI=1S/C11H9NO3S2/c13-9-6-17-11(16)12(9)5-7-1-3-8(4-2-7)10(14)15/h1-4,6,13H,5H2,(H,14,15)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64927
PNG
(MLS000046762 | N-(4-fluorobenzyl)-5-[(2-fluorobenz...)
Show SMILES Fc1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1
Show InChI InChI=1S/C20H17F2NO4S/c21-16-7-5-14(6-8-16)11-23-20(24)19-10-9-17(27-19)13-28(25,26)12-15-3-1-2-4-18(15)22/h1-10H,11-13H2,(H,23,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64929
PNG
(5-hydroxy-2-methyl-1-phenyl-3-indolecarboxylic aci...)
Show SMILES COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C17H15NO3/c1-11-16(17(20)21-2)14-10-13(19)8-9-15(14)18(11)12-6-4-3-5-7-12/h3-10,19H,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34358
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1OC
Show InChI InChI=1S/C25H24N4O5S/c1-3-29(17-18-9-5-4-6-10-18)35(31,32)20-15-13-19(14-16-20)23(30)26-25-28-27-24(34-25)21-11-7-8-12-22(21)33-2/h4-16H,3,17H2,1-2H3,(H,26,28,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM50247261
PNG
(5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol...)
Show SMILES COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38968
PNG
(MLS000086346 | N-[5-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES CC1(C)COCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM39518
PNG
(2-furanyl-[4-(3-phenyl-7-isothiazolo[4,5-d]pyrimid...)
Show SMILES O=C(N1CCN(CC1)c1ncnc2c(nsc12)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H17N5O2S/c26-20(15-7-4-12-27-15)25-10-8-24(9-11-25)19-18-17(21-13-22-19)16(23-28-18)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64875
PNG
(Furan-2-carboxylic acid (2-diphenylacetylamino-eth...)
Show SMILES O=C(NCCNC(=O)c1ccco1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N2O3/c24-20(18-12-7-15-26-18)22-13-14-23-21(25)19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,19H,13-14H2,(H,22,24)(H,23,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64877
PNG
(2-furanyl-[4-(2-propan-2-yl-5,6,7,8-tetrahydro-[1]...)
Show SMILES CC(C)c1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C22H26N4O2S/c1-14(2)19-23-20(18-15-6-3-4-8-17(15)29-21(18)24-19)25-9-11-26(12-10-25)22(27)16-7-5-13-28-16/h5,7,13-14H,3-4,6,8-12H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM48305
PNG
(4-Methyl-N-(4-oxo-4H-benzo[d][1,3]thiazin-2-yl)-be...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
Show InChI InChI=1S/C16H12N2O2S/c1-10-6-8-11(9-7-10)14(19)18-16-17-13-5-3-2-4-12(13)15(20)21-16/h2-9H,1H3,(H,17,18,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64885
PNG
(4-tert-butyl-N-[4-(4-ethanoylpiperazin-1-yl)phenyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C23H29N3O2/c1-17(27)25-13-15-26(16-14-25)21-11-9-20(10-12-21)24-22(28)18-5-7-19(8-6-18)23(2,3)4/h5-12H,13-16H2,1-4H3,(H,24,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64888
PNG
(MLS000071812 | N-(1-ethyl-2-benzimidazolyl)-2-thio...)
Show SMILES CCn1c(NC(=O)c2cccs2)nc2ccccc12
Show InChI InChI=1S/C14H13N3OS/c1-2-17-11-7-4-3-6-10(11)15-14(17)16-13(18)12-8-5-9-19-12/h3-9H,2H2,1H3,(H,15,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM39433
PNG
(3-amino-5-methyl-1H-indole-2-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1[nH]c2ccc(C)cc2c1N
Show InChI InChI=1S/C12H14N2O2/c1-3-16-12(15)11-10(13)8-6-7(2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM56922
PNG
(2-(4-methylpyrazol-1-yl)-4-(o-phenetidino)pyrimidi...)
Show SMILES CCOC(=O)c1cnc(nc1Nc1ccccc1OCC)-n1cc(C)cn1
Show InChI InChI=1S/C19H21N5O3/c1-4-26-16-9-7-6-8-15(16)22-17-14(18(25)27-5-2)11-20-19(23-17)24-12-13(3)10-21-24/h6-12H,4-5H2,1-3H3,(H,20,22,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64907
PNG
(2-[4-(2-phenoxyethoxy)benzyl]quinuclidin-3-one;hyd...)
Show SMILES O=C1C2CCN(CC2)C1Cc1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C22H25NO3/c24-22-18-10-12-23(13-11-18)21(22)16-17-6-8-20(9-7-17)26-15-14-25-19-4-2-1-3-5-19/h1-9,18,21H,10-16H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64908
PNG
(2,6-bis(2-furanyl)-4-methyl-3-propyl-4-piperidinol...)
Show SMILES CCCC1C(NC(CC1(C)O)c1ccco1)c1ccco1
Show InChI InChI=1S/C17H23NO3/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM56029
PNG
(3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H27N3O5/c1-14-5-6-17-18(9-14)25-23(24(29)32-4)22(17)26-21(28)13-27-8-7-15-10-19(30-2)20(31-3)11-16(15)12-27/h5-6,9-11,25H,7-8,12-13H2,1-4H3,(H,26,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64909
PNG
(2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(3,4-dimetho...)
Show SMILES COc1ccc(CCn2c(C)cc3OC(=N)C(C#N)C(c4ccc5OCOc5c4)c3c2=O)cc1OC
Show InChI InChI=1S/C27H25N3O6/c1-15-10-23-25(27(31)30(15)9-8-16-4-6-19(32-2)21(11-16)33-3)24(18(13-28)26(29)36-23)17-5-7-20-22(12-17)35-14-34-20/h4-7,10-12,18,24,29H,8-9,14H2,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64910
PNG
(4-(4-methoxyphenyl)-8-methyl-2-(4-methylanilino)-4...)
Show SMILES COc1ccc(cc1)C1N=C(Nc2ccc(C)cc2)Nc2nc(C)cc(=O)n12
Show InChI InChI=1S/C21H21N5O2/c1-13-4-8-16(9-5-13)23-20-24-19(15-6-10-17(28-3)11-7-15)26-18(27)12-14(2)22-21(26)25-20/h4-12,19H,1-3H3,(H2,22,23,24,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM37382
PNG
((1-methylbenzimidazol-2-yl)-(1-propylbenzimidazol-...)
Show SMILES CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Show InChI InChI=1S/C18H19N5/c1-3-12-23-16-11-7-5-9-14(16)20-18(23)21-17-19-13-8-4-6-10-15(13)22(17)2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34329
PNG
(3-allyl-4-[(5-bromo-2-furoyl)amino]-2-thioxo-4-thi...)
Show SMILES CCOC(=O)c1sc(=S)n(CC=C)c1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C14H13BrN2O4S2/c1-3-7-17-11(10(23-14(17)22)13(19)20-4-2)16-12(18)8-5-6-9(15)21-8/h3,5-6H,1,4,7H2,2H3,(H,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM40838
PNG
(7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...)
Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64933
PNG
(4-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)...)
Show SMILES OC(=O)C(CC(=O)Nc1cccc(Cl)c1)NCCN1CCOCC1
Show InChI InChI=1S/C16H22ClN3O4/c17-12-2-1-3-13(10-12)19-15(21)11-14(16(22)23)18-4-5-20-6-8-24-9-7-20/h1-3,10,14,18H,4-9,11H2,(H,19,21)(H,22,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64876
PNG
(5-(4-Bromo-phenyl)-7-trifluoromethyl-4,5,6,7-tetra...)
Show SMILES FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCC1CCCO1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H20BrF3N4O2/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)27-17(25-14)9-15(26-27)18(28)24-10-13-2-1-7-29-13/h3-6,9,13-14,16,25H,1-2,7-8,10H2,(H,24,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64879
PNG
(Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thia...)
Show SMILES COc1ccc(cc1)-c1csc(n1)N(CC1CCCO1)C(=O)c1ccco1
Show InChI InChI=1S/C20H20N2O4S/c1-24-15-8-6-14(7-9-15)17-13-27-20(21-17)22(12-16-4-2-10-25-16)19(23)18-5-3-11-26-18/h3,5-9,11,13,16H,2,4,10,12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64881
PNG
(Furan-2-carboxylic acid [2-(2,3,4-trimethoxy-benzy...)
Show SMILES COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1OC
Show InChI InChI=1S/C17H22N2O5/c1-21-13-7-6-12(15(22-2)16(13)23-3)11-18-8-9-19-17(20)14-5-4-10-24-14/h4-7,10,18H,8-9,11H2,1-3H3,(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64538
PNG
(MLS000030000 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CN2CCN(CC2)c2nc(cs2)-c2ccccc2)s1
Show InChI InChI=1S/C19H22N6OS2/c1-2-17-22-23-18(28-17)21-16(26)12-24-8-10-25(11-9-24)19-20-15(13-27-19)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,23,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM32049
PNG
(4-[[2-amino-3-(3-chlorophenyl)sulfonyl-4,9-dihydro...)
Show SMILES Nc1c(c2Nc3ccccc3Nc2n1N=CC1=CC(=O)C(=O)C=C1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H16ClN5O4S/c24-14-4-3-5-15(11-14)34(32,33)21-20-23(28-17-7-2-1-6-16(17)27-20)29(22(21)25)26-12-13-8-9-18(30)19(31)10-13/h1-12,27-28H,25H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64540
PNG
(4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]benzo...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC1)c1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C23H22N4O/c1-2-7-18(8-3-1)9-6-12-26-13-15-27(16-14-26)23-22-21(24-17-25-23)19-10-4-5-11-20(19)28-22/h1-11,17H,12-16H2/b9-6+
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64911
PNG
(4-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methy...)
Show SMILES CCCCn1c(CN2CCN(CC2)C(=O)OCC)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H30N6O4/c1-5-7-8-25-14(13-23-9-11-24(12-10-23)19(28)29-6-2)20-16-15(25)17(26)22(4)18(27)21(16)3/h5-13H2,1-4H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64912
PNG
(2-N-(4-fluorophenyl)-6-[(4-pyridin-2-ylpiperazin-1...)
Show SMILES Nc1nc(CN2CCN(CC2)c2ccccn2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H21FN8/c20-14-4-6-15(7-5-14)23-19-25-16(24-18(21)26-19)13-27-9-11-28(12-10-27)17-3-1-2-8-22-17/h1-8H,9-13H2,(H3,21,23,24,25,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64917
PNG
(2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thi...)
Show SMILES O=C(CSc1nc(cs1)-c1ccccc1)Nc1nccs1
Show InChI InChI=1S/C14H11N3OS3/c18-12(17-13-15-6-7-19-13)9-21-14-16-11(8-20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64545
PNG
(3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...)
Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64547
PNG
(MLS000095477 | N-(2-furanylmethyl)-5-oxo-1-sulfany...)
Show SMILES O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C16H11N3O3S2/c20-14-10-5-1-2-6-11(10)19-13(18-14)12(24-16(19)23)15(21)17-8-9-4-3-7-22-9/h1-7H,8H2,(H,17,21)(H,18,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM54164
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1
Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(H,26,28,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34180
PNG
(3-(3,4-dimethoxyphenyl)-1-[(pentafluorophenyl)sulf...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C17H12F5N3O4S/c1-28-9-4-3-7(5-10(9)29-2)8-6-11(23)25(24-8)30(26,27)17-15(21)13(19)12(18)14(20)16(17)22/h3-6H,23H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64935
PNG
(6-amino-8-(4-methylphenyl)-1,3,8,8a-tetrahydro-2-b...)
Show SMILES Cc1ccc(cc1)C1C2CSCCC2=C(C#N)C(=N)C1(C#N)C#N
Show InChI InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-5,16-17,23H,6-7,9H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64937
PNG
(MLS000096326 | N-[3-(3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES O=C(CN1C(=O)COc2ccccc12)NCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C22H25N3O3/c26-21(15-25-19-8-3-4-9-20(19)28-16-22(25)27)23-11-5-12-24-13-10-17-6-1-2-7-18(17)14-24/h1-4,6-9H,5,10-16H2,(H,23,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64938
PNG
(MLS000092753 | N-cyclopentyl-2-[3-(4-fluorobenzyl)...)
Show SMILES Fc1ccc(Cn2nnc3c2ncn(CC(=O)NC2CCCC2)c3=O)cc1
Show InChI InChI=1S/C18H19FN6O2/c19-13-7-5-12(6-8-13)9-25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,21,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64939
PNG
(3-phenyl-2-(2-pyridinyl)-5,6,7,7a-tetrahydro-3H-py...)
Show SMILES O=C1C2CCCN2C(N1c1ccccn1)c1ccccc1
Show InChI InChI=1S/C17H17N3O/c21-17-14-9-6-12-19(14)16(13-7-2-1-3-8-13)20(17)15-10-4-5-11-18-15/h1-5,7-8,10-11,14,16H,6,9,12H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64940
PNG
(MLS000043973 | N-[4-(2-phenylethanoylamino)-1,2,5-...)
Show SMILES O=C(Cc1ccccc1)Nc1nonc1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c22-14(11-12-7-3-1-4-8-12)18-15-16(21-24-20-15)19-17(23)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,20,22)(H,19,21,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64873
PNG
(2-(4-Phenyl-piperazin-1-yl)-4,6-bis-(2,2,2-trifluo...)
Show SMILES FC(F)(F)COc1nc(OCC(F)(F)F)nc(n1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H17F6N5O2/c18-16(19,20)10-29-14-24-13(25-15(26-14)30-11-17(21,22)23)28-8-6-27(7-9-28)12-4-2-1-3-5-12/h1-5H,6-11H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64887
PNG
(MLS000070560 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)s1
Show InChI InChI=1S/C22H23N7OS2/c1-3-20-26-27-21(32-20)24-19(30)14-31-22-28-25-18(29(22)17-10-5-4-6-11-17)13-23-16-9-7-8-15(2)12-16/h4-12,23H,3,13-14H2,1-2H3,(H,24,27,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64897
PNG
(MLS000027432 | N-(4-keto-1,3-benzothiazin-2-yl)ben...)
Show SMILES O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C15H10N2O2S/c18-13(10-6-2-1-3-7-10)16-15-17-14(19)11-8-4-5-9-12(11)20-15/h1-9H,(H,16,17,18,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64899
PNG
((4Z)-1-(2-furanylmethyl)-4-[hydroxy-(4-methylpheny...)
Show SMILES COc1cccc(c1)C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C24H21NO5/c1-15-8-10-16(11-9-15)22(26)20-21(17-5-3-6-18(13-17)29-2)25(24(28)23(20)27)14-19-7-4-12-30-19/h3-13,20-21H,14H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64906
PNG
(MLS000082464 | N-[7-(2-chlorophenyl)-5-(4-methoxyp...)
Show SMILES COCC(=O)Nc1nc2NC(CC(c3ccccc3Cl)n2n1)c1ccc(OC)cc1
Show InChI InChI=1S/C21H22ClN5O3/c1-29-12-19(28)24-20-25-21-23-17(13-7-9-14(30-2)10-8-13)11-18(27(21)26-20)15-5-3-4-6-16(15)22/h3-10,17-18H,11-12H2,1-2H3,(H2,23,24,25,26,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM49220
PNG
(4-methoxybenzoic acid [5-chloro-7-(4-morpholinylme...)
Show SMILES COc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
Show InChI InChI=1S/C22H21ClN2O4/c1-27-17-6-4-15(5-7-17)22(26)29-21-16(14-25-9-11-28-12-10-25)13-19(23)18-3-2-8-24-20(18)21/h2-8,13H,9-12,14H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64919
PNG
(MLS000048778 | N-cyclohexyl-2-[[5-(2-furanyl)-1,3,...)
Show SMILES CN(C1CCCCC1)C(=O)CSc1nnc(o1)-c1ccco1
Show InChI InChI=1S/C15H19N3O3S/c1-18(11-6-3-2-4-7-11)13(19)10-22-15-17-16-14(21-15)12-8-5-9-20-12/h5,8-9,11H,2-4,6-7,10H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64923
PNG
(MLS000056555 | N-[5-(2-furanyl)-1,3,4-oxadiazol-2-...)
Show SMILES Cc1nn(c(C)c1C(=O)Nc1nnc(o1)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C18H15N5O3/c1-11-15(12(2)23(22-11)13-7-4-3-5-8-13)16(24)19-18-21-20-17(26-18)14-9-6-10-25-14/h3-10H,1-2H3,(H,19,21,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64925
PNG
(2-(3,4-dimethoxyphenyl)-3-hydroxy-1,2-dihydroquina...)
Show SMILES COc1ccc(cc1OC)C1Nc2ccccc2C(=O)N1O
Show InChI InChI=1S/C16H16N2O4/c1-21-13-8-7-10(9-14(13)22-2)15-17-12-6-4-3-5-11(12)16(19)18(15)20/h3-9,15,17,20H,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64928
PNG
(4-(1-methyl-2-oxidanylidene-quinolin-4-yl)oxy-N-py...)
Show SMILES Cn1c2ccccc2c(OCCCC(=O)Nc2cccnc2)cc1=O
Show InChI InChI=1S/C19H19N3O3/c1-22-16-8-3-2-7-15(16)17(12-19(22)24)25-11-5-9-18(23)21-14-6-4-10-20-13-14/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,21,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64930
PNG
(6-(2-chloro-4-fluoro-benzyl)-7-keto-5-methyl-1H-py...)
Show SMILES COC(=O)c1c[nH]n2c1nc(C)c(Cc1ccc(F)cc1Cl)c2=O
Show InChI InChI=1S/C16H13ClFN3O3/c1-8-11(5-9-3-4-10(18)6-13(9)17)15(22)21-14(20-8)12(7-19-21)16(23)24-2/h3-4,6-7,19H,5H2,1-2H3
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n/an/an/an/a 755n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM30857
PNG
(2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-4-methy...)
Show SMILES CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
Show InChI InChI=1S/C15H15N3O3S2/c1-4-21-13(19)12-8(2)16-14(23-12)18-15-17-11-9(20-3)6-5-7-10(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64934
PNG
(5-[(3-fluorophenyl)(3-methylpiperidin-1-yl)methyl]...)
Show SMILES CC1CCCN(C1)C(c1sc2nc(C)nn2c1O)c1cccc(F)c1
Show InChI InChI=1S/C18H21FN4OS/c1-11-5-4-8-22(10-11)15(13-6-3-7-14(19)9-13)16-17(24)23-18(25-16)20-12(2)21-23/h3,6-7,9,11,15,24H,4-5,8,10H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM42715
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C26H23FN4O3/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)24(32)19-7-5-18(6-8-19)17-31-25(33)22-3-1-2-4-23(22)28-26(31)34/h1-12H,13-17H2,(H,28,34)
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n/an/an/an/a 3.25E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64936
PNG
(1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-(...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCn2c1nc1ccccc21
Show InChI InChI=1S/C24H26N4O4S/c1-3-22(29)28-16(2)14-17-15-18(8-9-20(17)28)33(31,32)13-10-23(30)27-12-11-26-21-7-5-4-6-19(21)25-24(26)27/h4-9,15-16H,3,10-14H2,1-2H3
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n/an/an/an/a 1.12E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM40037
PNG
((3aS,4R,9bR)-4-(2-pyridinyl)-3a,4,5,9b-tetrahydro-...)
Show SMILES OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1
Show InChI InChI=1S/C18H16N2O2/c21-18(22)11-7-8-15-14(10-11)12-4-3-5-13(12)17(20-15)16-6-1-2-9-19-16/h1-4,6-10,12-13,17,20H,5H2,(H,21,22)/t12-,13+,17-/m1/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64549
PNG
(4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1
Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)
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n/an/an/an/a 193n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%