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Compile Data Set for Download or QSAR

Found 242 hits of ec50 data for polymerid = 4771   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
heat shock protein 90


(Candida albicans)
BDBM64554
PNG
(MLS000112333 | N-(3-methoxy-5,6,7,8-tetrahydronaph...)
Show SMILES COc1cc2CCCCc2cc1NC(=O)c1ccco1
Show InChI InChI=1S/C16H17NO3/c1-19-15-10-12-6-3-2-5-11(12)9-13(15)17-16(18)14-7-4-8-20-14/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


Citation and Details
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64596
PNG
(7-Chloro-2-pyridin-3-yl-5-thiophen-2-yl-3H-benzo[e...)
Show SMILES Clc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1
Show InChI InChI=1S/C17H11ClN4S/c18-12-5-6-14-13(9-12)16(15-4-2-8-23-15)21-22-17(20-14)11-3-1-7-19-10-11/h1-10,21H
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


Citation and Details
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: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


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


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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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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM60225
PNG
(4-fluoranyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21)
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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64574
PNG
(2,4-bis(chloranyl)-N-[5-(5,6,7,8-tetrahydronaphtha...)
Show SMILES Clc1ccc(C(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2N3O2/c20-14-7-8-15(16(21)10-14)17(25)22-19-24-23-18(26-19)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,22,24,25)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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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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Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64558
PNG
((5,7-dichloroquinolin-8-yl) thiophene-2-carboxylat...)
Show SMILES Clc1cc(Cl)c2cccnc2c1OC(=O)c1cccs1
Show InChI InChI=1S/C14H7Cl2NO2S/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)19-14(18)11-4-2-6-20-11/h1-7H
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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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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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Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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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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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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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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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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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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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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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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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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Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM68337
PNG
(BRD-K57196652-003-05-9 | N-(3-aminocarbonyl-6-prop...)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(=O)c1nc3ccccc3s1)c2C(N)=O
Show InChI InChI=1S/C19H20N4O2S2/c1-10(2)23-8-7-11-14(9-23)27-18(15(11)16(20)24)22-17(25)19-21-12-5-3-4-6-13(12)26-19/h3-6,10H,7-9H2,1-2H3,(H2,20,24)(H,22,25)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM58327
PNG
(MLS001204085 | N-[(4-Chloro-phenyl)-(8-hydroxy-qui...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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


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


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


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


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM68336
PNG
(BRD-K57435385-001-01-8 | N-[5-[(4-chlorobenzyl)thi...)
Show SMILES Clc1ccc(CSc2nnc(NC(=O)c3ccc4ccccc4n3)s2)cc1
Show InChI InChI=1S/C19H13ClN4OS2/c20-14-8-5-12(6-9-14)11-26-19-24-23-18(27-19)22-17(25)16-10-7-13-3-1-2-4-15(13)21-16/h1-10H,11H2,(H,22,23,25)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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


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


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


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More data for this
Ligand-Target Pair
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: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


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


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64595
PNG
(MLS000555416 | N-[3-(4-Chloro-benzoyl)-4,5,6,7-tet...)
Show SMILES Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12
Show InChI InChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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


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


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


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64732
PNG
(MLS001204078 | N-[(8-Hydroxy-quinolin-7-yl)-phenyl...)
Show SMILES CCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H20N2O2/c1-2-7-17(23)22-18(14-8-4-3-5-9-14)16-12-11-15-10-6-13-21-19(15)20(16)24/h3-6,8-13,18,24H,2,7H2,1H3,(H,22,23)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM64754
PNG
(3-(2,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-(4-phen...)
Show SMILES COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C29H29N5O5/c1-38-21-12-13-24(25(18-21)39-2)34-29(37)23-11-7-6-10-22(23)27(31-34)28(36)30-19-26(35)33-16-14-32(15-17-33)20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,30,36)
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Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


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


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


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


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


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM68335
PNG
(1-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-diaza...)
Show SMILES CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C2(CCCCC2)C1=O
Show InChI InChI=1S/C18H22N2O3S/c1-3-23-17(22)19-15(21)18(11-5-4-6-12-18)20(16(19)24)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3
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n/an/an/an/a 1.36E+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, ...


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More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM68334
PNG
(3-amino-N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiaz...)
Show SMILES Nc1nccnc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C14H11ClN6OS2/c15-9-3-1-8(2-4-9)7-23-14-21-20-13(24-14)19-12(22)10-11(16)18-6-5-17-10/h1-6H,7H2,(H2,16,18)(H,19,20,22)
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UniChem
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n/an/an/an/a 1.43E+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, ...


Citation and Details
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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n/an/an/an/a 1.46E+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, ...


Citation and Details
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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UniChem
PCBioAssay
n/an/an/an/a 1.64E+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, ...


Citation and Details
More data for this
Ligand-Target Pair
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