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PubChem AID 1913

Compile data set for download or QSAR
Found 128 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 HSP 90-alpha


(Homo sapiens (human))
BDBM47997
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-2,...)
Show SMILES Cc1c(-c2nc(no2)-c2ccc(cc2)C(C)(C)C)n(C)oc1=O
Show InChI InChI=1S/C17H19N3O3/c1-10-13(20(5)23-16(10)21)15-18-14(19-22-15)11-6-8-12(9-7-11)17(2,3)4/h6-9H,1-5H3
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n/an/a>3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47950
PNG
(2-[3-(2-methoxy-4-methyl-phenoxy)propoxy]benzoic a...)
Show SMILES COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC
Show InChI InChI=1S/C19H22O5/c1-14-9-10-17(18(13-14)21-2)24-12-6-11-23-16-8-5-4-7-15(16)19(20)22-3/h4-5,7-10,13H,6,11-12H2,1-3H3
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n/an/a 4.05n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM37016
PNG
(MLS000056239 | N-[2-[2-[2,5-dimethyl-1-(2-thenyl)p...)
Show SMILES CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
Show InChI InChI=1S/C21H22N2O3S/c1-14-11-18(15(2)23(14)12-17-7-6-10-27-17)20(25)13-26-21-9-5-4-8-19(21)22-16(3)24/h4-11H,12-13H2,1-3H3,(H,22,24)
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n/an/a 106n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47960
PNG
(MLS000732969 | N-[(2-biphenyl-4-yl-5-methyl-1,3-ox...)
Show SMILES CN(Cc1nc(oc1C)-c1ccc(cc1)-c1ccccc1)C1CCOC1
Show InChI InChI=1S/C22H24N2O2/c1-16-21(14-24(2)20-12-13-25-15-20)23-22(26-16)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20H,12-15H2,1-2H3
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n/an/a 235n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47951
PNG
(2-[3-(4-formyl-2-methoxy-phenoxy)propoxy]benzoic a...)
Show SMILES COC(=O)c1ccccc1OCCCOc1ccc(C=O)cc1OC
Show InChI InChI=1S/C19H20O6/c1-22-18-12-14(13-20)8-9-17(18)25-11-5-10-24-16-7-4-3-6-15(16)19(21)23-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3
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n/an/a 314n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 322n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM35404
PNG
(6-(4-methoxyphenyl)-3-methyl-N-(6-methyl-2-pyridin...)
Show SMILES COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H18N4O2S/c1-12-5-4-6-17(21-12)23-19(25)18-13(2)24-11-16(22-20(24)27-18)14-7-9-15(26-3)10-8-14/h4-11H,1-3H3,(H,21,23,25)
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n/an/a 327n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47953
PNG
(MLS000374486 | N-(3-anilino-4-keto-1-naphthylidene...)
Show SMILES O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C20H14N2O3S2/c23-20-16-10-5-4-9-15(16)17(22-27(24,25)19-11-6-12-26-19)13-18(20)21-14-7-2-1-3-8-14/h1-13,21H
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n/an/a 348n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47944
PNG
(2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfany...)
Show SMILES OC(=O)c1cccnc1SCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13NO3S/c20-16(11-23-17-15(18(21)22)6-3-9-19-17)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,21,22)
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n/an/a 391n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 433n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM41038
PNG
((NE)-N-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O3S2/c1-14-7-2-5-10-17(14)22-19-13-18(15-8-3-4-9-16(15)21(19)24)23-28(25,26)20-11-6-12-27-20/h2-13,22H,1H3
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n/an/a 438n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47966
PNG
(4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic ac...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)c1c[nH]c(c1)C(O)=O
Show InChI InChI=1S/C16H17NO3/c1-16(2,3)12-6-4-10(5-7-12)14(18)11-8-13(15(19)20)17-9-11/h4-9,17H,1-3H3,(H,19,20)
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n/an/a 469n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 522n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48028
PNG
(3-[[(4E)-1-keto-4-tosylimino-2-naphthyl]amino]benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H18N2O5S/c1-15-9-11-18(12-10-15)32(30,31)26-21-14-22(23(27)20-8-3-2-7-19(20)21)25-17-6-4-5-16(13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 524n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48010
PNG
(5-[(4-ethylphenoxy)methyl]-2-furancarboxylic acid ...)
Show SMILES CCc1ccc(OCc2ccc(o2)C(=O)OC)cc1
Show InChI InChI=1S/C15H16O4/c1-3-11-4-6-12(7-5-11)18-10-13-8-9-14(19-13)15(16)17-2/h4-9H,3,10H2,1-2H3
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n/an/a 551n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48030
PNG
(4-[(E)-[3-(2-fluoroanilino)-4-keto-1-naphthylidene...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12
Show InChI InChI=1S/C23H15FN2O5S/c24-18-7-3-4-8-19(18)25-21-13-20(16-5-1-2-6-17(16)22(21)27)26-32(30,31)15-11-9-14(10-12-15)23(28)29/h1-13,25H,(H,28,29)
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n/an/a 638n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47978
PNG
((NZ)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H
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n/an/a 656n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47990
PNG
(5-Bromo-6-oxo-6H-pyran-3-carboxylic acid (2-methox...)
Show SMILES COc1ccccc1NC(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H10BrNO4/c1-18-11-5-3-2-4-10(11)15-12(16)8-6-9(14)13(17)19-7-8/h2-7H,1H3,(H,15,16)
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n/an/a 658n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47982
PNG
(5-Bromo-6-oxo-6H-pyran-3-carboxylic acid (4-isopro...)
Show SMILES CC(C)c1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1C
Show InChI InChI=1S/C16H16BrNO3/c1-9(2)13-5-4-12(6-10(13)3)18-15(19)11-7-14(17)16(20)21-8-11/h4-9H,1-3H3,(H,18,19)
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n/an/a 685n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47935
PNG
(MLS000106202 | N-[2-(4-bromophenyl)-6-methyl-4-pyr...)
Show SMILES Cc1cc(NO)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-16)14-11(13-7)8-2-4-9(12)5-3-8/h2-6,16H,1H3,(H,13,14,15)
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n/an/a 728n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47979
PNG
(2-(benzofuran-2-carbonylamino)thiazole-4-carboxyli...)
Show SMILES CCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1
Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)10-8-22-15(16-10)17-13(18)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,16,17,18)
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n/an/a 784n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47976
PNG
(2-chloranyl-5-[2-[[4-(furan-2-ylcarbonyloxy)-3-met...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C20H15ClN2O6/c1-27-18-9-12(4-7-16(18)29-20(26)17-3-2-8-28-17)11-22-23-13-5-6-15(21)14(10-13)19(24)25/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 792n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47995
PNG
(2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...)
Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1
Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2
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n/an/a 816n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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n/an/a 827n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48023
PNG
(2-chloranyl-5-[2-[[4-(4-fluorophenyl)carbonyloxy-3...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O5/c1-30-20-10-13(12-25-26-16-7-8-18(23)17(11-16)21(27)28)2-9-19(20)31-22(29)14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28)
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n/an/a 874n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47971
PNG
(2-[(4-ethoxybenzoyl)amino]thiazole-4-carboxylic ac...)
Show SMILES CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1
Show InChI InChI=1S/C15H16N2O4S/c1-3-20-11-7-5-10(6-8-11)13(18)17-15-16-12(9-22-15)14(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
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n/an/a 880n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48037
PNG
(MLS001216957 | SMR000612717 | [5-(4-Propyl-phenoxy...)
Show SMILES CCCc1ccc(OCc2ccc(o2)C(=O)N2CCSCC2)cc1
Show InChI InChI=1S/C19H23NO3S/c1-2-3-15-4-6-16(7-5-15)22-14-17-8-9-18(23-17)19(21)20-10-12-24-13-11-20/h4-9H,2-3,10-14H2,1H3
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n/an/a 904n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48016
PNG
(MLS001174968 | N-hydroxy-N,1-diphenyl-methanesulfo...)
Show SMILES ON(c1ccccc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C13H13NO3S/c15-14(13-9-5-2-6-10-13)18(16,17)11-12-7-3-1-4-8-12/h1-10,15H,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48039
PNG
(3-[[(4E)-4-(2,4-dimethylphenyl)sulfonylimino-1-ket...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)
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n/an/a 919n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48036
PNG
(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-2-16-10-12-19(13-11-16)33(31,32)27-22-15-23(24(28)21-9-4-3-8-20(21)22)26-18-7-5-6-17(14-18)25(29)30/h3-15,26H,2H2,1H3,(H,29,30)
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n/an/a 926n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48035
PNG
(4-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-2-16-7-13-19(14-8-16)33(31,32)27-22-15-23(24(28)21-6-4-3-5-20(21)22)26-18-11-9-17(10-12-18)25(29)30/h3-15,26H,2H2,1H3,(H,29,30)
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n/an/a 966n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 967n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48032
PNG
(1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1cccc(OC)c1
Show InChI InChI=1S/C22H22N2O5/c1-27-17-5-3-4-15(12-17)20-23-18-7-6-16(13-19(18)29-20)21(25)24-10-8-14(9-11-24)22(26)28-2/h3-7,12-14H,8-11H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48024
PNG
(2-chloranyl-5-[2-[[4-(2-fluorophenyl)carbonyloxy-3...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccccc1F
Show InChI InChI=1S/C22H16ClFN2O5/c1-30-20-10-13(12-25-26-14-7-8-17(23)16(11-14)21(27)28)6-9-19(20)31-22(29)15-4-2-3-5-18(15)24/h2-11H,12H2,1H3,(H,27,28)
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n/an/a 1.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47937
PNG
(5-[(2-keto-3,4-dimethyl-chromen-7-yl)oxymethyl]fur...)
Show SMILES COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
Show InChI InChI=1S/C18H16O6/c1-10-11(2)17(19)24-16-8-12(4-6-14(10)16)22-9-13-5-7-15(23-13)18(20)21-3/h4-8H,9H2,1-3H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48042
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)thi...)
Show SMILES CCOC(=O)c1csc(NC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O5S/c1-2-20-14(19)10-8-23-15(16-10)17-13(18)9-3-4-11-12(7-9)22-6-5-21-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)
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n/an/a 1.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48029
PNG
(4-[(E)-[3-(2-carbomethoxyanilino)-4-keto-1-naphthy...)
Show SMILES COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H18N2O7S/c1-34-25(31)19-8-4-5-9-20(19)26-22-14-21(17-6-2-3-7-18(17)23(22)28)27-35(32,33)16-12-10-15(11-13-16)24(29)30/h2-14,26H,1H3,(H,29,30)
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n/an/a 1.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48021
PNG
((5Z)-5-[(1-prop-2-ynyl-1H-indol-3-yl)methylene]imi...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cn(CC#C)c2ccccc12
Show InChI InChI=1S/C15H11N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h1,3-6,8-9H,7H2,(H2,16,17,19,20)/b12-8-
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n/an/a 1.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47975
PNG
(2-chloranyl-5-[2-[(3-methoxy-4-thiophen-2-ylcarbon...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1cccs1
Show InChI InChI=1S/C20H15ClN2O5S/c1-27-17-9-12(4-7-16(17)28-20(26)18-3-2-8-29-18)11-22-23-13-5-6-15(21)14(10-13)19(24)25/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 1.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47992
PNG
(2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-eth...)
Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13NO6S/c19-13(11-5-6-14-15(9-11)24-8-7-23-14)10-18-17(20)12-3-1-2-4-16(12)25(18,21)22/h1-6,9H,7-8,10H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48015
PNG
(2-chloranyl-5-[2-[[3-methoxy-4-(4-methoxyphenyl)ca...)
Show SMILES COc1ccc(cc1)C(=O)Oc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1OC
Show InChI InChI=1S/C23H19ClN2O6/c1-30-17-7-4-15(5-8-17)23(29)32-20-10-3-14(11-21(20)31-2)13-25-26-16-6-9-19(24)18(12-16)22(27)28/h3-12H,13H2,1-2H3,(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47998
PNG
(2,4-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,...)
Show SMILES Cc1c(-c2nc(no2)-c2ccc(cc2)C(F)(F)F)n(C)oc1=O
Show InChI InChI=1S/C14H10F3N3O3/c1-7-10(20(2)23-13(7)21)12-18-11(19-22-12)8-3-5-9(6-4-8)14(15,16)17/h3-6H,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47952
PNG
(MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H22N4O4S2/c1-3-17-30-25-23(27-21-11-7-8-12-22(21)28-25)24(35(31,32)19-15-13-18(2)14-16-19)26(30)29-36(33,34)20-9-5-4-6-10-20/h3-16,29H,1,17H2,2H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47968
PNG
(MLS000686315 | N-[4-({(4Z)-1-oxo-4-[(thien-2-ylsul...)
Show SMILES CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H17N3O4S2/c1-14(26)23-15-8-10-16(11-9-15)24-20-13-19(17-5-2-3-6-18(17)22(20)27)25-31(28,29)21-7-4-12-30-21/h2-13,24H,1H3,(H,23,26)
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n/an/a 1.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47961
PNG
((2Z)-1,3-diketo-2-[(5-methyl-2-furyl)methylene]ind...)
Show SMILES Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
Show InChI InChI=1S/C16H10O5/c1-8-2-4-10(21-8)7-13-14(17)11-5-3-9(16(19)20)6-12(11)15(13)18/h2-7H,1H3,(H,19,20)/b13-7-
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n/an/a 1.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48027
PNG
(4-[[(4E)-1-keto-4-mesitylsulfonylimino-2-naphthyl]...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C26H22N2O5S/c1-15-12-16(2)25(17(3)13-15)34(32,33)28-22-14-23(24(29)21-7-5-4-6-20(21)22)27-19-10-8-18(9-11-19)26(30)31/h4-14,27H,1-3H3,(H,30,31)
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n/an/a 1.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48034
PNG
(5-[(3,4-dimethylphenoxy)methyl]-2-furancarboxylic ...)
Show SMILES Cc1ccc(OCc2ccc(o2)C(O)=O)cc1C
Show InChI InChI=1S/C14H14O4/c1-9-3-4-11(7-10(9)2)17-8-12-5-6-13(18-12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
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n/an/a 1.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47970
PNG
(MLS001017288 | N-(4-methoxyphenyl)-N-[(3-oxidanyli...)
Show SMILES COc1ccc(cc1)N(N=C1Sc2ccccc2C1=O)C(C)=O
Show InChI InChI=1S/C17H14N2O3S/c1-11(20)19(12-7-9-13(22-2)10-8-12)18-17-16(21)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48014
PNG
(2-chloranyl-5-[2-[(Z)-indol-3-ylidenemethyl]hydraz...)
Show SMILES OC(=O)c1cc(ccc1Cl)N=NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C16H12ClN3O2/c17-14-6-5-11(7-13(14)16(21)22)20-19-9-10-8-18-15-4-2-1-3-12(10)15/h1-8,18H,9H2,(H,21,22)
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n/an/a>2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM39800
PNG
(2-(1-oxopropylamino)benzoic acid phenacyl ester | ...)
Show SMILES CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-2-17(21)19-15-11-7-6-10-14(15)18(22)23-12-16(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 2.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47991
PNG
((3Z)-6-chloranyl-3-(2-oxidanylidene-2-thiophen-2-y...)
Show SMILES Clc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C14H8ClNO3S/c15-8-3-4-12-9(6-8)16-10(14(18)19-12)7-11(17)13-2-1-5-20-13/h1-6H,7H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47984
PNG
(5-(4-sec-Butyl-phenoxymethyl)-furan-2-carboxylic a...)
Show SMILES CCC(C)c1ccc(OCc2ccc(o2)C(=O)OC)cc1
Show InChI InChI=1S/C17H20O4/c1-4-12(2)13-5-7-14(8-6-13)20-11-15-9-10-16(21-15)17(18)19-3/h5-10,12H,4,11H2,1-3H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47964
PNG
(MLS000856853 | N'-[2-(3-methoxyphenyl)-5,6,7,8-tet...)
Show SMILES COc1cccc(c1)-c1cc2nc3CCCCc3c(NCC(C)(C)CN(C)C)n2n1
Show InChI InChI=1S/C24H33N5O/c1-24(2,16-28(3)4)15-25-23-19-11-6-7-12-20(19)26-22-14-21(27-29(22)23)17-9-8-10-18(13-17)30-5/h8-10,13-14,25H,6-7,11-12,15-16H2,1-5H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47946
PNG
(3-[(2-allyloxy-3-methoxy-benzyl)amino]benzoic acid...)
Show SMILES COc1cccc(CNc2cccc(c2)C(O)=O)c1OCC=C
Show InChI InChI=1S/C18H19NO4/c1-3-10-23-17-14(7-5-9-16(17)22-2)12-19-15-8-4-6-13(11-15)18(20)21/h3-9,11,19H,1,10,12H2,2H3,(H,20,21)
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n/an/a 2.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47947
PNG
(1-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]...)
Show SMILES CCCCOc1ccc(cc1)-c1cc(C(=O)NNC(=S)NCC)c2ccccc2n1
Show InChI InChI=1S/C23H26N4O2S/c1-3-5-14-29-17-12-10-16(11-13-17)21-15-19(18-8-6-7-9-20(18)25-21)22(28)26-27-23(30)24-4-2/h6-13,15H,3-5,14H2,1-2H3,(H,26,28)(H2,24,27,30)
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n/an/a 2.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47969
PNG
(2-(4-mesylphenyl)imidazo[1,2-a]pyridine-6-carboxyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cn2cc(ccc2n1)C(O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-22(20,21)12-5-2-10(3-6-12)13-9-17-8-11(15(18)19)4-7-14(17)16-13/h2-9H,1H3,(H,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM44448
PNG
(MLS000091077 | N-[2-(2-methyl-1-indolyl)ethyl]benz...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,21)
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n/an/a 2.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47954
PNG
(5-(2-naphthalenyloxymethyl)-2-furancarboxylic acid...)
Show SMILES O=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C22H17NO4/c24-22(26-14-18-7-3-4-12-23-18)21-11-10-20(27-21)15-25-19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14-15H2
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n/an/a 2.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47477
PNG
((3Z)-6-chloranyl-3-[2-(furan-2-yl)-2-oxidanylidene...)
Show SMILES Clc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
Show InChI InChI=1S/C14H8ClNO4/c15-8-3-4-12-9(6-8)16-10(14(18)20-12)7-11(17)13-2-1-5-19-13/h1-6H,7H2
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n/an/a 2.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48000
PNG
((4Z)-4-[(N-hydroxyanilino)methylene]-5-methyl-2-ph...)
Show SMILES ON(C=c1c(=C)[nH]n(-c2ccccc2)c1=O)c1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-13-16(12-19(22)14-8-4-2-5-9-14)17(21)20(18-13)15-10-6-3-7-11-15/h2-12,18,22H,1H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM39770
PNG
(4-Methyl-2-(3-phenyl-acryloylamino)-thiazole-5-car...)
Show SMILES Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C20H16ClN3O2S/c1-13-18(19(26)23-16-10-6-5-9-15(16)21)27-20(22-13)24-17(25)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,23,26)(H,22,24,25)/b12-11+
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n/an/a 2.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48011
PNG
(1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...)
Show SMILES [O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
Show InChI InChI=1S/C17H14N2O2/c20-19(21)11-8-14-6-7-17-16(12-14)9-10-18(17)13-15-4-2-1-3-5-15/h1-12H,13H2/b11-8+
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n/an/a 2.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47956
PNG
((5S)-5-[(benzyl{[2-(4-ethoxyphenyl)-5-methyl-1,3-o...)
Show SMILES CCOc1ccc(cc1)-c1nc(CN(C[C@@H]2CCC(=O)N2)Cc2ccccc2)c(C)o1
Show InChI InChI=1S/C25H29N3O3/c1-3-30-22-12-9-20(10-13-22)25-27-23(18(2)31-25)17-28(15-19-7-5-4-6-8-19)16-21-11-14-24(29)26-21/h4-10,12-13,21H,3,11,14-17H2,1-2H3,(H,26,29)/t21-/m0/s1
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n/an/a 3.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48003
PNG
(2-Methyl-8-morpholin-4-yl-5,6-dioxo-5,6-dihydro-qu...)
Show SMILES COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1
Show InChI InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
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n/an/a 3.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48008
PNG
(MLS001215892 | SMR000544766 | [2-[3-[(E)-2-(4-meth...)
Show SMILES COc1ccc(\C=C\c2noc(n2)-c2ccccc2OC(C)=O)cc1
Show InChI InChI=1S/C19H16N2O4/c1-13(22)24-17-6-4-3-5-16(17)19-20-18(21-25-19)12-9-14-7-10-15(23-2)11-8-14/h3-12H,1-2H3/b12-9+
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n/an/a 3.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM37561
PNG
(2-amino-4-phenyl-phenol | 2-amino-4-phenylphenol |...)
Show SMILES Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47963
PNG
(2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-methyl-5-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(s1)C(=O)OCC=C
Show InChI InChI=1S/C16H16N2O4S/c1-4-9-22-15(20)13-10(2)17-16(23-13)18-14(19)11-5-7-12(21-3)8-6-11/h4-8H,1,9H2,2-3H3,(H,17,18,19)
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n/an/a 3.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47977
PNG
(3-[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-...)
Show SMILES COCCn1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
Show InChI InChI=1S/C20H21N3O5/c1-12-10-16(13(2)22(12)8-9-28-3)17(24)11-23-19(25)15-7-5-4-6-14(15)18(21-23)20(26)27/h4-7,10H,8-9,11H2,1-3H3,(H,26,27)
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n/an/a 3.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48001
PNG
(4-[[(E)-3-keto-3-phenyl-prop-1-enyl]amino]benzoic ...)
Show SMILES COC(=O)c1ccc(cc1)N=CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H15NO3/c1-21-17(20)14-7-9-15(10-8-14)18-12-11-16(19)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47957
PNG
((4-acetamidophenyl) 4-nitrobenzenesulfonate | 4-ni...)
Show SMILES CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O6S/c1-10(17)15-11-2-6-13(7-3-11)22-23(20,21)14-8-4-12(5-9-14)16(18)19/h2-9H,1H3,(H,15,17)
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n/an/a 3.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47938
PNG
((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1
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n/an/a 3.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48019
PNG
(2-(cyclopropanecarbonylamino)-1,3-benzothiazole-6-...)
Show SMILES COC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C13H12N2O3S/c1-18-12(17)8-4-5-9-10(6-8)19-13(14-9)15-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,15,16)
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n/an/a 3.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47948
PNG
(2-(4-Fluoro-benzoylamino)-4-methyl-thiazole-5-carb...)
Show SMILES Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-10-7-13-3-2-4-15(13)11-17)28-21(23-12)25-19(26)14-5-8-16(22)9-6-14/h5-11H,2-4H2,1H3,(H,24,27)(H,23,25,26)
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n/an/a 3.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48040
PNG
(2-[2-(2-chlorophenyl)-2-keto-ethyl]-1,1-diketo-1,2...)
Show SMILES Clc1ccccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10ClNO4S/c16-12-7-3-1-5-10(12)13(18)9-17-15(19)11-6-2-4-8-14(11)22(17,20)21/h1-8H,9H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48018
PNG
(MLS001167189 | N-(4-chlorophenyl)-1-(2-furanyl)met...)
Show SMILES [O-]\[N+](=C/c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H8ClNO2/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-
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n/an/a 4.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48007
PNG
((4Z)-4-[(4-acetylphenyl)hydrazinylidene]-5-methyl-...)
Show SMILES CC(=O)c1ccc(cc1)N=Nc1c(C)[nH]n(-c2ccccc2)c1=O
Show InChI InChI=1S/C18H16N4O2/c1-12-17(18(24)22(21-12)16-6-4-3-5-7-16)20-19-15-10-8-14(9-11-15)13(2)23/h3-11,21H,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47943
PNG
(1-(diethylamino)-4-(sulfothio)benzene | 1-(diethyl...)
Show SMILES CCN(CC)c1ccc(SS(O)(=O)=O)cc1
Show InChI InChI=1S/C10H15NO3S2/c1-3-11(4-2)9-5-7-10(8-6-9)15-16(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)
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n/an/a 4.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47934
PNG
(MLS000101692 | N-[2-(2-methyl-1-indolyl)ethyl]-2-t...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1cccs1
Show InChI InChI=1S/C16H16N2OS/c1-12-11-13-5-2-3-6-14(13)18(12)9-8-17-16(19)15-7-4-10-20-15/h2-7,10-11H,8-9H2,1H3,(H,17,19)
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n/an/a 4.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47994
PNG
(1,1-diketo-2-[2-keto-2-(p-tolyl)ethyl]-1,2-benzoth...)
Show SMILES Cc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO4S/c1-11-6-8-12(9-7-11)14(18)10-17-16(19)13-4-2-3-5-15(13)22(17,20)21/h2-9H,10H2,1H3
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n/an/a 4.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48041
PNG
(2-[(4-fluorobenzyl)thio]-1-nosyl-2-imidazoline | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
Show InChI InChI=1S/C16H14FN3O4S2/c17-13-3-1-12(2-4-13)11-25-16-18-9-10-19(16)26(23,24)15-7-5-14(6-8-15)20(21)22/h1-8H,9-11H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48031
PNG
(2-(2-methoxyanilino)-5-oxo-N-(3-pyridinylmethyl)-[...)
Show SMILES COc1ccccc1Nc1nn2c(nc3cc(ccc3c2=O)C(=O)NCc2cccnc2)s1
Show InChI InChI=1S/C23H18N6O3S/c1-32-19-7-3-2-6-17(19)26-22-28-29-21(31)16-9-8-15(11-18(16)27-23(29)33-22)20(30)25-13-14-5-4-10-24-12-14/h2-12H,13H2,1H3,(H,25,30)(H,26,28)
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n/an/a 4.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47985
PNG
((3Z)-3-[2-keto-2-(2-thienyl)ethylidene]-6-methyl-4...)
Show SMILES Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C15H11NO3S/c1-9-4-5-13-10(7-9)16-11(15(18)19-13)8-12(17)14-3-2-6-20-14/h2-7H,8H2,1H3
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n/an/a 5.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47986
PNG
((3Z)-3-[2-(2-furanyl)-2-oxoethylidene]-6-methyl-4H...)
Show SMILES Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
Show InChI InChI=1S/C15H11NO4/c1-9-4-5-13-10(7-9)16-11(15(18)20-13)8-12(17)14-3-2-6-19-14/h2-7H,8H2,1H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM33746
PNG
(2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-ox...)
Show SMILES Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1
Show InChI InChI=1S/C20H18N2O4S2/c1-13-7-8-15-17(9-13)28-20(21-15)22-18(24)11-27-12-19(25)26-10-16(23)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,22,24)
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n/an/a 5.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48012
PNG
(2-[(E)-2-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl]pheny...)
Show SMILES CC(=O)Oc1ccccc1\C=C\c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H13NO4/c1-12(20)22-16-9-5-2-6-13(16)10-11-17-19-15-8-4-3-7-14(15)18(21)23-17/h2-11H,1H3/b11-10+
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48006
PNG
(3-(3-chlorophenyl)-1-(3-methylphenyl)-1-oxidanyl-u...)
Show SMILES Cc1cccc(c1)N(O)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H13ClN2O2/c1-10-4-2-7-13(8-10)17(19)14(18)16-12-6-3-5-11(15)9-12/h2-9,19H,1H3,(H,16,18)
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48025
PNG
(5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phe...)
Show SMILES CCN(CC)c1ccc(cc1)-c1sc(Nc2ccc(CC)cc2)n[n+]1-c1ccccc1
Show InChI InChI=1S/C26H29N4S/c1-4-20-12-16-22(17-13-20)27-26-28-30(24-10-8-7-9-11-24)25(31-26)21-14-18-23(19-15-21)29(5-2)6-3/h7-19H,4-6H2,1-3H3,(H,27,28)/q+1
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n/an/a 5.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47987
PNG
(2-chloranyl-5-[2-(pyridin-3-ylmethylidene)hydrazin...)
Show SMILES OC(=O)c1cc(ccc1Cl)N=NCc1cccnc1
Show InChI InChI=1S/C13H10ClN3O2/c14-12-4-3-10(6-11(12)13(18)19)17-16-8-9-2-1-5-15-7-9/h1-7H,8H2,(H,18,19)
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n/an/a 5.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47931
PNG
(1-[6-(4-methoxyphenyl)-3-methyl-imidazo[2,1-b]thia...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)c1sc2nc(cn2c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-4-29-21(27)16-6-5-11-24(12-16)20(26)19-14(2)25-13-18(23-22(25)30-19)15-7-9-17(28-3)10-8-15/h7-10,13,16H,4-6,11-12H2,1-3H3
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n/an/a 5.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47945
PNG
(4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid | 4-(...)
Show SMILES Nc1c(cnn1-c1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-15-14(11-4-2-1-3-5-11)10-18-19(15)13-8-6-12(7-9-13)16(20)21/h1-10H,17H2,(H,20,21)
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n/an/a 5.93E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 6.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48013
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-dimethyl-ani...)
Show SMILES CN(C)c1ccc(cc1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H19N3/c1-22(2)15-11-9-14(10-12-15)19-20-16-7-3-5-13-6-4-8-17(21-19)18(13)16/h3-12,19-21H,1-2H3
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n/an/a 6.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47962
PNG
(3-chloranyl-N-(4-methyl-5-piperidin-1-ylcarbonyl-1...)
Show SMILES Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1
Show InChI InChI=1S/C17H18ClN3O2S/c1-11-14(16(23)21-8-3-2-4-9-21)24-17(19-11)20-15(22)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9H2,1H3,(H,19,20,22)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47936
PNG
(4-methyl-2-[(5-methyl-2-furoyl)amino]thiazole-5-ca...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
Show InChI InChI=1S/C13H14N2O4S/c1-4-18-12(17)10-8(3)14-13(20-10)15-11(16)9-6-5-7(2)19-9/h5-6H,4H2,1-3H3,(H,14,15,16)
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n/an/a 6.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47972
PNG
((4-anilinophenyl) acetate | (4-phenylazanylphenyl)...)
Show SMILES CC(=O)Oc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO2/c1-11(16)17-14-9-7-13(8-10-14)15-12-5-3-2-4-6-12/h2-10,15H,1H3
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n/an/a 6.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48033
PNG
(2-[2-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[1,...)
Show SMILES COc1ccc(cc1)-c1cc2n(cnn(CC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2=O)n1
Show InChI InChI=1S/C29H34N6O3/c1-38-25-10-8-24(9-11-25)26-19-27-29(37)34(31-21-35(27)32-26)20-28(36)30-14-5-15-33-16-12-23(13-17-33)18-22-6-3-2-4-7-22/h2-4,6-11,19,21,23H,5,12-18,20H2,1H3,(H,30,36)
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n/an/a 6.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47999
PNG
(4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxybenzalde...)
Show SMILES COc1cc(ccc1C=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C16H15NO2/c1-19-16-8-15(7-6-14(16)11-18)17-9-12-4-2-3-5-13(12)10-17/h2-8,11H,9-10H2,1H3
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n/an/a>7.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47983
PNG
(5-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-furancarb...)
Show SMILES COC(=O)c1ccc(COc2ccc3CCCc3c2)o1
Show InChI InChI=1S/C16H16O4/c1-18-16(17)15-8-7-14(20-15)10-19-13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4,10H2,1H3
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n/an/a>7.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47942
PNG
(5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-2-furan...)
Show SMILES COC(=O)c1ccc(COc2ccc(CC=C)cc2OC)o1
Show InChI InChI=1S/C17H18O5/c1-4-5-12-6-8-14(16(10-12)19-2)21-11-13-7-9-15(22-13)17(18)20-3/h4,6-10H,1,5,11H2,2-3H3
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n/an/a 7.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47941
PNG
(2-methyl-1H-benzimidazole-6-carboxylic acid | 2-me...)
Show SMILES Cc1nc2ccc(cc2[nH]1)C(O)=O
Show InChI InChI=1S/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
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n/an/a 7.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47958
PNG
(3-[[2-methoxy-4-[(E)-2-nitroethenyl]phenoxy]methyl...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H15NO6/c1-23-16-10-12(7-8-18(21)22)5-6-15(16)24-11-13-3-2-4-14(9-13)17(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-7+
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n/an/a 7.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48017
PNG
(2,2,2-trifluoro-N-[3-[6-(4-methyl-1-piperidinyl)-3...)
Show SMILES CC1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C18H19F3N4O/c1-12-7-9-25(10-8-12)16-6-5-15(23-24-16)13-3-2-4-14(11-13)22-17(26)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,22,26)
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n/an/a 8.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47996
PNG
(2-[(4-methoxyphenoxy)methyl]-4-thiazolecarboxylic ...)
Show SMILES CCOC(=O)c1csc(COc2ccc(OC)cc2)n1
Show InChI InChI=1S/C14H15NO4S/c1-3-18-14(16)12-9-20-13(15-12)8-19-11-6-4-10(17-2)5-7-11/h4-7,9H,3,8H2,1-2H3
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n/an/a 8.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47989
PNG
(4-[5-[(methylcarbamothioylhydrazinylidene)methyl]f...)
Show SMILES CNC(=S)NN=Cc1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13N3O3S/c1-15-14(21)17-16-8-11-6-7-12(20-11)9-2-4-10(5-3-9)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,17,21)
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n/an/a 8.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48004
PNG
(1-[5-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]...)
Show SMILES CC(=O)CSc1ccc(cn1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H13N3OS/c1-10(19)9-20-14-7-6-11(8-16-14)15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
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n/an/a 8.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47930
PNG
(2-[(6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydro...)
Show SMILES CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3CC(C)(C)OCc3sc2n1
Show InChI InChI=1S/C21H25N3O3S3/c1-12(2)29-20-23-18(28-11-16(25)22-9-13-6-5-7-26-13)17-14-8-21(3,4)27-10-15(14)30-19(17)24-20/h5-7,12H,8-11H2,1-4H3,(H,22,25)
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n/an/a 8.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47965
PNG
(1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(3,5-d...)
Show SMILES CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2nc3c(C)cc(C)cc3s2)C1
Show InChI InChI=1S/C25H38N4OS/c1-17-13-20(4)23-22(14-17)31-25(27-23)29-10-6-21(7-11-29)24(30)26-8-5-9-28-15-18(2)12-19(3)16-28/h13-14,18-19,21H,5-12,15-16H2,1-4H3,(H,26,30)
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n/an/a 8.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47988
PNG
(3-[(5Z)-5-(1H-benzimidazol-2-ylmethylene)-4-keto-2...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C18H11N3O3S2/c22-16-14(9-15-19-12-6-1-2-7-13(12)20-15)26-18(25)21(16)11-5-3-4-10(8-11)17(23)24/h1-9H,(H,19,20)(H,23,24)/b14-9-
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n/an/a 8.93E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47939
PNG
(1-(5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-ylsu...)
Show SMILES CC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C12H10N2O4S/c1-7(15)5-19-12-14-13-11(18-12)8-2-3-9-10(4-8)17-6-16-9/h2-4H,5-6H2,1H3
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n/an/a 9.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47959
PNG
(1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES CCOc1ccc(cc1)-c1nc(CN2CCCCC2CCn2cccn2)c(C)o1
Show InChI InChI=1S/C23H30N4O2/c1-3-28-21-10-8-19(9-11-21)23-25-22(18(2)29-23)17-26-14-5-4-7-20(26)12-16-27-15-6-13-24-27/h6,8-11,13,15,20H,3-5,7,12,14,16-17H2,1-2H3
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n/an/a 9.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47967
PNG
(3-[[2,2,2-trichloro-1-[(3-nitrobenzoyl)amino]ethyl...)
Show SMILES OC(=O)c1cccc(NC(=S)NC(NC(=O)c2cccc(c2)[N+]([O-])=O)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)
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n/an/a 9.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48020
PNG
((imidazol-2-ylideneamino)-(4-nitrophenyl)amine | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
Show InChI InChI=1S/C9H6N5O2/c15-14(16)8-3-1-7(2-4-8)12-13-9-10-5-6-11-9/h1-6H/q-1/p+1/b13-12+
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47981
PNG
(4-(5-Formyl-furan-2-yl)-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1
Show InChI InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48022
PNG
(2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfan...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1ccccc1C(O)=O
Show InChI InChI=1S/C16H14O3S/c1-11-6-8-12(9-7-11)14(17)10-20-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47974
PNG
(3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrr...)
Show SMILES COCC(C)n1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
Show InChI InChI=1S/C21H23N3O5/c1-12-9-17(14(3)24(12)13(2)11-29-4)18(25)10-23-20(26)16-8-6-5-7-15(16)19(22-23)21(27)28/h5-9,13H,10-11H2,1-4H3,(H,27,28)
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47993
PNG
(2-[(4-chlorophenyl)sulfonylmethyl]-4-methyl-1,3-th...)
Show SMILES Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H10ClNO4S2/c1-7-11(12(15)16)19-10(14-7)6-20(17,18)9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47932
PNG
(2-(methoxycarbonylamino)ethyl N-(4-bromophenyl)-N-...)
Show SMILES COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1
Show InChI InChI=1S/C11H13BrN2O5/c1-18-10(15)13-6-7-19-11(16)14(17)9-4-2-8(12)3-5-9/h2-5,17H,6-7H2,1H3,(H,13,15)
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n/an/a 1.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM45008
PNG
(4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-th...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
Show InChI InChI=1S/C20H19N3O2S2/c1-14-7-9-15(10-8-14)13-16-19(25)23(20(26)27-16)12-4-6-18(24)22-17-5-2-3-11-21-17/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,24)/b16-13-
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n/an/a 1.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48002
PNG
(3-({4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylide...)
Show SMILES CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O
Show InChI InChI=1S/C19H15NO5S/c1-20-17(21)16(26-19(20)24)10-12-5-7-15(8-6-12)25-11-13-3-2-4-14(9-13)18(22)23/h2-10H,11H2,1H3,(H,22,23)/b16-10+
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM48005
PNG
(4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyraz...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C17H15N5O2/c1-11-15(17(24)22(21-11)14-5-3-2-4-6-14)20-19-13-9-7-12(8-10-13)16(18)23/h2-10,21H,1H3,(H2,18,23)
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n/an/a 2.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47980
PNG
(4-keto-3-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)eth...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1C
Show InChI InChI=1S/C18H17N3O4/c1-10-8-14(11(2)20(10)3)15(22)9-21-17(23)13-7-5-4-6-12(13)16(19-21)18(24)25/h4-8H,9H2,1-3H3,(H,24,25)
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n/an/a 2.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47955
PNG
(1-(4-nosylpiperazino)-2-phenyl-ethanone | 1-[4-(4-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H19N3O5S/c22-18(14-15-4-2-1-3-5-15)19-10-12-20(13-11-19)27(25,26)17-8-6-16(7-9-17)21(23)24/h1-9H,10-14H2
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n/an/a 2.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47933
PNG
(2-(2-indolin-1-yl-2-keto-ethyl)-1,1-diketo-1,2-ben...)
Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H14N2O4S/c20-16(18-10-9-12-5-1-3-7-14(12)18)11-19-17(21)13-6-2-4-8-15(13)24(19,22)23/h1-8H,9-11H2
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n/an/a 3.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47949
PNG
(5-(p-toluoylamino)furan-2-carboxylic acid methyl e...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
Show InChI InChI=1S/C14H13NO4/c1-9-3-5-10(6-4-9)13(16)15-12-8-7-11(19-12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
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n/an/a>6.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM37077
PNG
(4-[[7-(diethylamino)-2-keto-chromen-3-yl]amino]-4-...)
Show SMILES CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C17H20N2O5/c1-3-19(4-2)12-6-5-11-9-13(17(23)24-14(11)10-12)18-15(20)7-8-16(21)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,20)(H,21,22)
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n/an/a>6.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47940
PNG
(2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanylacet...)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C16H21NO3S/c18-15(10-21-11-16(19)20)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,17,18)(H,19,20)
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n/an/a>6.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM47973
PNG
(3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrr...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1CC(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4/c1-10-7-14(11(2)24(10)9-19(20,21)22)15(26)8-25-17(27)13-6-4-3-5-12(13)16(23-25)18(28)29/h3-7H,8-9H2,1-2H3,(H,28,29)
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n/an/a>6.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%