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There are 117 purchasable compounds for target: heat shock protein 90

Wt: 349.4
BDBM30857
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Wt: 385.4
BDBM34278
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Wt: 449.3
BDBM34180
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Wt: 334.3
BDBM34197
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Wt: 365.4
BDBM34204
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Wt: 417.2
BDBM34329
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Wt: 314.3
BDBM34569
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Wt: 293.3
BDBM34573
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Wt: 316.3
BDBM34677
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Wt: 492.5
BDBM34358
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Wt: 321.3
BDBM34593
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Wt: 384.4
BDBM37694
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Wt: 247.3
BDBM38945
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Wt: 280.3
BDBM38870
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Wt: 150.2
BDBM38954
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Displayed 1 to 15 (of 117 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 30857,34278,34180,34197,34204,34329,34569,34573,34677,34358,34593,37694,38945,38870,38954   
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)
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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Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...


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


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


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


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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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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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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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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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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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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)
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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Ligand-Target Pair