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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for entry = 4342   
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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 8.92E+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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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 |t:4|
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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n/an/an/an/a 2.33E+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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 9.53E+3n/an/an/an/a



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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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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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
ATP-dependent molecular chaperone HSP82


(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

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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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(Candida albicans)		BDBM34573
PNG
((1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]...)
Show SMILES [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1 |c:1,16|
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
ATP-dependent molecular chaperone HSP82


(Candida albicans)		BDBM40585
PNG
(MLS000038587 | SMR000038600 | cid_657644)
Show SMILES NC(=O)C(C#N)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1 |t:9,19|
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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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

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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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 |c:13,t:10|
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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 1.39E+4n/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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 4.66E+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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 1.25E+4n/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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 3.45E+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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a 2.01E+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
ATP-dependent molecular chaperone HSP82


(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 |w:14.16,c:25,t:19|
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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n/an/an/an/a 6.49E+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
ATP-dependent molecular chaperone HSP82


(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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n/an/an/an/a>1.60E+5n/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
ATP-dependent molecular chaperone HSP82


(Candida albicans)		BDBM64907
PNG
(2-[4-(2-phenoxyethoxy)benzyl]quinuclidin-3-one;hyd...)
Show SMILES [H]C12CCN(CC1)C(Cc1ccc(OCCOc3ccccc3)cc1)C2=O |TLB:8:7:2.3:6.5,THB:26:25:2.3:6.5,(12.06,2.4,;11.57,3.85,;7.73,2.16,;8.5,.83,;11.17,2.37,;13.99,1.2,;14.39,2.69,;9.66,5.16,;8.18,5.56,;7.78,7.05,;8.87,8.14,;8.47,9.62,;6.98,10.02,;6.58,11.51,;5.09,11.91,;4.69,13.4,;3.21,13.8,;2.81,15.28,;3.9,16.37,;3.5,17.86,;2.01,18.26,;.92,17.17,;1.32,15.68,;5.89,8.93,;6.29,7.45,;11,5.93,;11.4,7.42,)|
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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n/an/an/an/a 1.68E+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
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