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PubChem AID 754

Compile data set for download or QSAR
Found 81 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))
BDBM40741
PNG
(8-amino-6-quinolinol | 8-aminoquinolin-6-ol | 8-az...)
Show SMILES Nc1cc(O)cc2cccnc12
Show InChI InChI=1S/C9H8N2O/c10-8-5-7(12)4-6-2-1-3-11-9(6)8/h1-5,12H,10H2
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n/an/a<625n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a<1.88E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a<1.88E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 2.73E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32068
PNG
(1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,...)
Show SMILES CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32214
PNG
(3-amino-1,2-dihydroxy-9,10-anthraquinone | 3-amino...)
Show SMILES Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI InChI=1S/C14H9NO4/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,18-19H,15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32207
PNG
(8-nitro-6-quinolinol | 8-nitroquinolin-6-ol | cid_...)
Show SMILES Oc1cc([N+]([O-])=O)c2ncccc2c1
Show InChI InChI=1S/C9H6N2O3/c12-7-4-6-2-1-3-10-9(6)8(5-7)11(13)14/h1-5,12H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32223
PNG
(3-aminonaphthalene-1,2-diol | 3-azanylnaphthalene-...)
Show SMILES Nc1cc2ccccc2c(O)c1O
Show InChI InChI=1S/C10H9NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5,12-13H,11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32202
PNG
(8-[4-(dimethylamino)butan-2-ylamino]-6-quinolinol ...)
Show SMILES CC(CCN(C)C)Nc1cc(O)cc2cccnc12
Show InChI InChI=1S/C15H21N3O/c1-11(6-8-18(2)3)17-14-10-13(19)9-12-5-4-7-16-15(12)14/h4-5,7,9-11,17,19H,6,8H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32201
PNG
(8-[5-(propan-2-ylamino)pentan-2-ylamino]-6-quinoli...)
Show SMILES CC(C)NCCCC(C)Nc1cc(O)cc2cccnc12
Show InChI InChI=1S/C17H25N3O/c1-12(2)18-8-4-6-13(3)20-16-11-15(21)10-14-7-5-9-19-17(14)16/h5,7,9-13,18,20-21H,4,6,8H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32220
PNG
(8-[5-(isopropylamino)pentylamino]quinolin-6-ol | 8...)
Show SMILES CC(C)NCCCCCNc1cc(O)cc2cccnc12
Show InChI InChI=1S/C17H25N3O/c1-13(2)18-8-4-3-5-9-19-16-12-15(21)11-14-7-6-10-20-17(14)16/h6-7,10-13,18-19,21H,3-5,8-9H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32221
PNG
(5,7-bis(azanyl)quinolin-8-ol | 5,7-diamino-8-quino...)
Show SMILES Nc1cc(N)c2cccnc2c1O
Show InChI InChI=1S/C9H9N3O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,10-11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40735
PNG
(3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-di...)
Show SMILES CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H30N4O/c1-4-27(5-2)16-10-15-24-20-17-21(28-3)23(19-13-9-14-25-22(19)20)26-18-11-7-6-8-12-18/h6-9,11-14,17,24,26H,4-5,10,15-16H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32219
PNG
(8-(5-aminopentylamino)-6-quinolinol | 8-(5-aminope...)
Show SMILES NCCCCCNc1cc(O)cc2cccnc12
Show InChI InChI=1S/C14H19N3O/c15-6-2-1-3-7-16-13-10-12(18)9-11-5-4-8-17-14(11)13/h4-5,8-10,16,18H,1-3,6-7,15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40739
PNG
(8-[5-(diethylamino)pentan-2-ylamino]-6-quinolinol ...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(O)cc2cccnc12
Show InChI InChI=1S/C18H27N3O/c1-4-21(5-2)11-7-8-14(3)20-17-13-16(22)12-15-9-6-10-19-18(15)17/h6,9-10,12-14,20,22H,4-5,7-8,11H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32256
PNG
((6-methoxy-8-quinolyl)-[2-(sec-butylamino)ethyl]am...)
Show SMILES CCC(C)NCCNc1cc(OC)cc2cccnc12
Show InChI InChI=1S/C16H23N3O/c1-4-12(2)17-8-9-18-15-11-14(20-3)10-13-6-5-7-19-16(13)15/h5-7,10-12,17-18H,4,8-9H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32180
PNG
(3-(aminomethyl)-4-fluoranyl-N-(6-oxidanylquinolin-...)
Show SMILES NCc1cc(ccc1F)S(=O)(=O)Nc1cc(O)cc2cccnc12
Show InChI InChI=1S/C16H14FN3O3S/c17-14-4-3-13(7-11(14)9-18)24(22,23)20-15-8-12(21)6-10-2-1-5-19-16(10)15/h1-8,20-21H,9,18H2
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n/an/a 1.61E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32073
PNG
((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Show SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
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n/an/a 2.79E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 2.93E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32064
PNG
(4-(6-fluoranyl-3-methyl-4-oxidanylidene-chromen-2-...)
Show SMILES Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13FN2O3/c1-10-17(23)14-9-11(20)7-8-15(14)25-18(10)16-12-5-3-4-6-13(12)19(24)22(2)21-16/h3-9H,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32022
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32074
PNG
(1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfa...)
Show SMILES CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32019
PNG
((11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[...)
Show SMILES C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32079
PNG
((6E)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazo...)
Show SMILES CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-10-5-12(15(22)7-14(10)21)18-13(8-19-20-18)11-3-4-16-17(6-11)24-9-23-16/h3-8,21-22H,2,9H2,1H3,(H,19,20)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32150
PNG
(3-cyano-4-fluoranyl-N-(6-oxidanylquinolin-8-yl)ben...)
Show SMILES Oc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1
Show InChI InChI=1S/C16H10FN3O3S/c17-14-4-3-13(7-11(14)9-18)24(22,23)20-15-8-12(21)6-10-2-1-5-19-16(10)15/h1-8,20-21H
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n/an/a 3.38E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32159
PNG
(N-[3-[(2,5-dichlorophenyl)sulfonylamino]-2-(2-hydr...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O
Show InChI InChI=1S/C23H22Cl2N2O5S/c1-23(2,3)32-22(29)26-17-8-6-9-18(21(17)15-7-4-5-10-19(15)28)27-33(30,31)20-13-14(24)11-12-16(20)25/h4-13,27-28H,1-3H3,(H,26,29)
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n/an/a 4.82E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40734
PNG
((6-methoxy-8-quinolyl)amine | 6-methoxy-8-quinolin...)
Show SMILES COc1cc(N)c2ncccc2c1
Show InChI InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32151
PNG
(N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O
Show InChI InChI=1S/C20H16FNO5S/c1-12-2-5-14(6-3-12)28(24,25)22-13-4-7-16(21)15(10-13)19-17(23)8-9-18-20(19)27-11-26-18/h2-10,22-23H,11H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32193
PNG
(1-N-(4-chloro-6-methoxyquinolin-8-yl)pentane-1,4-d...)
Show SMILES COc1cc(NCCCC(C)N)c2nccc(Cl)c2c1
Show InChI InChI=1S/C15H20ClN3O/c1-10(17)4-3-6-18-14-9-11(20-2)8-12-13(16)5-7-19-15(12)14/h5,7-10,18H,3-4,6,17H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32194
PNG
(3-cyano-4-fluoranyl-N-[4-fluoranyl-3-(5-oxidanyl-1...)
Show SMILES Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)ccc1F
Show InChI InChI=1S/C20H12F2N2O5S/c21-15-4-2-13(7-11(15)9-23)30(26,27)24-12-1-3-16(22)14(8-12)19-17(25)5-6-18-20(19)29-10-28-18/h1-8,24-25H,10H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32209
PNG
((2,3-dimethyl-1H-indol-7-yl)amine | 2,3-dimethyl-1...)
Show SMILES Cc1[nH]c2c(N)cccc2c1C
Show InChI InChI=1S/C10H12N2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5,12H,11H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40738
PNG
(4-aminobutyl-(6-methoxy-8-quinolyl)amine | N'-(6-m...)
Show SMILES COc1cc(NCCCCN)c2ncccc2c1
Show InChI InChI=1S/C14H19N3O/c1-18-12-9-11-5-4-8-17-14(11)13(10-12)16-7-3-2-6-15/h4-5,8-10,16H,2-3,6-7,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50149893
PNG
(4-(6-Methoxy-quinolin-8-ylamino)-pentyl-ammonium |...)
Show SMILES COc1cc(NC(C)CCC[NH3+])c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32199
PNG
(5-amino-2-naphthalenol | 5-amino-2-naphthol | 5-am...)
Show SMILES Nc1cccc2cc(O)ccc12
Show InChI InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32204
PNG
(4-[2-(diethylamino)-1-hydroxy-ethyl]quinolin-8-ol ...)
Show SMILES CCN(CC)CC(O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C15H20N2O2/c1-3-17(4-2)10-14(19)11-8-9-16-15-12(11)6-5-7-13(15)18/h5-9,14,18-19H,3-4,10H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40736
PNG
((5,6-dimethoxy-8-quinolyl)-[4-(isopropylamino)-1-m...)
Show SMILES COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC
Show InChI InChI=1S/C19H29N3O2/c1-13(2)20-10-6-8-14(3)22-16-12-17(23-4)19(24-5)15-9-7-11-21-18(15)16/h7,9,11-14,20,22H,6,8,10H2,1-5H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40737
PNG
(3-[(5-chloro-6-methoxy-8-quinolyl)amino]propyl-dii...)
Show SMILES COc1cc(NCCCN(CC(C)C)CC(C)C)c2ncccc2c1Cl
Show InChI InChI=1S/C21H32ClN3O/c1-15(2)13-25(14-16(3)4)11-7-10-23-18-12-19(26-5)20(22)17-8-6-9-24-21(17)18/h6,8-9,12,15-16,23H,7,10-11,13-14H2,1-5H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40740
PNG
(3-[(2,6-dimethoxy-8-quinolyl)amino]propyl-diethyl-...)
Show SMILES CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12
Show InChI InChI=1S/C18H27N3O2/c1-5-21(6-2)11-7-10-19-16-13-15(22-3)12-14-8-9-17(23-4)20-18(14)16/h8-9,12-13,19H,5-7,10-11H2,1-4H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40743
PNG
(4-N-(6-methoxyquinolin-8-yl)-1-N-propan-2-ylpentan...)
Show SMILES COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1
Show InChI InChI=1S/C18H27N3O/c1-13(2)19-9-5-7-14(3)21-17-12-16(22-4)11-15-8-6-10-20-18(15)17/h6,8,10-14,19,21H,5,7,9H2,1-4H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32258
PNG
(N'-ethyl-N-(6-methoxy-8-quinolinyl)-N'-pentan-2-yl...)
Show SMILES CCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12
Show InChI InChI=1S/C19H29N3O/c1-5-8-15(3)22(6-2)12-11-20-18-14-17(23-4)13-16-9-7-10-21-19(16)18/h7,9-10,13-15,20H,5-6,8,11-12H2,1-4H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40733
PNG
(N-(6-methoxy-8-quinolinyl)-2,4-dinitrobenzenesulfo...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ncccc2c1
Show InChI InChI=1S/C16H12N4O7S/c1-27-12-7-10-3-2-6-17-16(10)13(9-12)18-28(25,26)15-5-4-11(19(21)22)8-14(15)20(23)24/h2-9,18H,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50149893
PNG
(4-(6-Methoxy-quinolin-8-ylamino)-pentyl-ammonium |...)
Show SMILES COc1cc(NC(C)CCC[NH3+])c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32255
PNG
(N-(6-methoxy-8-quinolinyl)-N',N'-bis(2-methylpropy...)
Show SMILES COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1
Show InChI InChI=1S/C20H31N3O/c1-15(2)13-23(14-16(3)4)10-9-21-19-12-18(24-5)11-17-7-6-8-22-20(17)19/h6-8,11-12,15-16,21H,9-10,13-14H2,1-5H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40744
PNG
(N-[6-methoxy-5-(4-methoxyphenoxy)-8-quinolinyl]-N'...)
Show SMILES COc1ccc(Oc2c(OC)cc(NCCCCCNC(C)C)c3ncccc23)cc1
Show InChI InChI=1S/C25H33N3O3/c1-18(2)26-14-6-5-7-15-27-22-17-23(30-4)25(21-9-8-16-28-24(21)22)31-20-12-10-19(29-3)11-13-20/h8-13,16-18,26-27H,5-7,14-15H2,1-4H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32257
PNG
(1-(diisobutylamino)-3-[(6-methoxy-2-methyl-8-quino...)
Show SMILES COc1cc(NCC(O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1
Show InChI InChI=1S/C22H35N3O2/c1-15(2)12-25(13-16(3)4)14-19(26)11-23-21-10-20(27-6)9-18-8-7-17(5)24-22(18)21/h7-10,15-16,19,23,26H,11-14H2,1-6H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32195
PNG
(4-chloranyl-N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzo...)
Show SMILES Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1F
Show InChI InChI=1S/C19H12ClFN2O7S/c20-13-3-2-11(8-15(13)23(25)26)31(27,28)22-10-1-4-14(21)12(7-10)18-16(24)5-6-17-19(18)30-9-29-17/h1-8,22,24H,9H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32217
PNG
(5-amino-2-(1,3-benzothiazol-2-ylamino)phenol | 5-a...)
Show SMILES Nc1ccc(Nc2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C13H11N3OS/c14-8-5-6-9(11(17)7-8)15-13-16-10-3-1-2-4-12(10)18-13/h1-7,17H,14H2,(H,15,16)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM40742
PNG
(1-ethylpropyl-[3-[(6-methoxy-8-quinolyl)amino]prop...)
Show SMILES CCC(CC)NCCCNc1cc(OC)cc2cccnc12
Show InChI InChI=1S/C18H27N3O/c1-4-15(5-2)19-10-7-11-20-17-13-16(22-3)12-14-8-6-9-21-18(14)17/h6,8-9,12-13,15,19-20H,4-5,7,10-11H2,1-3H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32185
PNG
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)
Show SMILES COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32186
PNG
(6-[5-(3,4-dimethoxyphenyl)-3-pyrazolidinylidene]-1...)
Show SMILES COc1ccc(cc1OC)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C17H18N2O3/c1-21-16-8-7-11(9-17(16)22-2)13-10-14(19-18-13)12-5-3-4-6-15(12)20/h3-9,13-14,20H,10H2,1-2H3
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n/an/a 5.23E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32181
PNG
(N-(2,4-dimethoxyphenyl)benzenesulfonamide | TG2-10...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C14H15NO4S/c1-18-11-8-9-13(14(10-11)19-2)15-20(16,17)12-6-4-3-5-7-12/h3-10,15H,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32161
PNG
(N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)pheny...)
Show SMILES COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N
Show InChI InChI=1S/C20H16Cl2N2O5S/c1-27-16-6-7-17-20(29-10-28-17)19(16)13-9-12(3-5-15(13)23)24-30(25,26)18-8-11(21)2-4-14(18)22/h2-9,24H,10,23H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32164
PNG
(2-amino-N-[4-amino-3-(2-hydroxyphenyl)phenyl]benze...)
Show SMILES Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1-c1ccccc1O
Show InChI InChI=1S/C18H17N3O3S/c19-15-10-9-12(11-14(15)13-5-1-3-7-17(13)22)21-25(23,24)18-8-4-2-6-16(18)20/h1-11,21-22H,19-20H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32165
PNG
(3-amino-N-[4-amino-3-(2-hydroxyphenyl)phenyl]benze...)
Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
Show InChI InChI=1S/C18H17N3O3S/c19-12-4-3-5-14(10-12)25(23,24)21-13-8-9-17(20)16(11-13)15-6-1-2-7-18(15)22/h1-11,21-22H,19-20H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32169
PNG
(N-[3-(2-hydroxyphenyl)-4-oxidanyl-phenyl]-4-methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
Show InChI InChI=1S/C19H17NO4S/c1-13-6-9-15(10-7-13)25(23,24)20-14-8-11-19(22)17(12-14)16-4-2-3-5-18(16)21/h2-12,20-22H,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32175
PNG
(N-[4-[(2,5-dichlorophenyl)sulfonylamino]-2-(2-etho...)
Show SMILES CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H28Cl2N2O5S/c1-5-37-25-15-10-18-8-6-7-9-21(18)27(25)22-17-20(12-14-24(22)32-28(34)38-29(2,3)4)33-39(35,36)26-16-19(30)11-13-23(26)31/h6-17,33H,5H2,1-4H3,(H,32,34)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32182
PNG
(N-(4-amino-2-hydroxy-phenyl)benzenesulfonamide | N...)
Show SMILES Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
Show InChI InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H,13H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32171
PNG
(N-[3-(2-hydroxyphenyl)-4-oxidanyl-phenyl]-3-nitro-...)
Show SMILES Oc1ccccc1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C18H14N2O6S/c21-17-7-2-1-6-15(17)16-10-12(8-9-18(16)22)19-27(25,26)14-5-3-4-13(11-14)20(23)24/h1-11,19,21-22H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32162
PNG
(N-[4-amino-3-(2-hydroxyphenyl)phenyl]-2-nitro-benz...)
Show SMILES Nc1ccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1-c1ccccc1O
Show InChI InChI=1S/C18H15N3O5S/c19-15-10-9-12(11-14(15)13-5-1-3-7-17(13)22)20-27(25,26)18-8-4-2-6-16(18)21(23)24/h1-11,20,22H,19H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32170
PNG
(N-[3-(2-hydroxyphenyl)-4-oxidanyl-phenyl]-3,4-dime...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
Show InChI InChI=1S/C20H19NO6S/c1-26-19-10-8-14(12-20(19)27-2)28(24,25)21-13-7-9-18(23)16(11-13)15-5-3-4-6-17(15)22/h3-12,21-23H,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32172
PNG
(3-amino-N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-...)
Show SMILES COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(N)c2)ccc1N
Show InChI InChI=1S/C20H19N3O5S/c1-26-17-7-8-18-20(28-11-27-18)19(17)15-10-13(5-6-16(15)22)23-29(24,25)14-4-2-3-12(21)9-14/h2-10,23H,11,21-22H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32174
PNG
(N-[4-amino-3-(2-hydroxyphenyl)phenyl]-3,4-dimethox...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
Show InChI InChI=1S/C20H20N2O5S/c1-26-19-10-8-14(12-20(19)27-2)28(24,25)22-13-7-9-17(21)16(11-13)15-5-3-4-6-18(15)23/h3-12,22-23H,21H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32177
PNG
(N-[4-amino-3-(2-ethoxy-1-naphthalenyl)phenyl]-4-me...)
Show SMILES CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N
Show InChI InChI=1S/C25H24N2O3S/c1-3-30-24-15-10-18-6-4-5-7-21(18)25(24)22-16-19(11-14-23(22)26)27-31(28,29)20-12-8-17(2)9-13-20/h4-16,27H,3,26H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32183
PNG
(N-(2-hydroxy-4-nitro-phenyl)benzenesulfonamide | N...)
Show SMILES Oc1cc(ccc1NS(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O5S/c15-12-8-9(14(16)17)6-7-11(12)13-20(18,19)10-4-2-1-3-5-10/h1-8,13,15H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32163
PNG
(N-[4-amino-3-(2-hydroxyphenyl)phenyl]-3-nitro-benz...)
Show SMILES Nc1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1O
Show InChI InChI=1S/C18H15N3O5S/c19-17-9-8-12(10-16(17)15-6-1-2-7-18(15)22)20-27(25,26)14-5-3-4-13(11-14)21(23)24/h1-11,20,22H,19H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32167
PNG
(N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)pheny...)
Show SMILES COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N
Show InChI InChI=1S/C21H20N2O5S/c1-13-3-6-15(7-4-13)29(24,25)23-14-5-8-17(22)16(11-14)20-18(26-2)9-10-19-21(20)28-12-27-19/h3-11,23H,12,22H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32173
PNG
(N-[4-amino-3-(2-hydroxyphenyl)phenyl]-4-methyl-ben...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
Show InChI InChI=1S/C19H18N2O3S/c1-13-6-9-15(10-7-13)25(23,24)21-14-8-11-18(20)17(12-14)16-4-2-3-5-19(16)22/h2-12,21-22H,20H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32178
PNG
(N-[4-amino-3-(2-ethoxy-1-naphthalenyl)phenyl]-3,4-...)
Show SMILES CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1N
Show InChI InChI=1S/C26H26N2O5S/c1-4-33-24-13-9-17-7-5-6-8-20(17)26(24)21-15-18(10-12-22(21)27)28-34(29,30)19-11-14-23(31-2)25(16-19)32-3/h5-16,28H,4,27H2,1-3H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32166
PNG
(N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)pheny...)
Show SMILES COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1N
Show InChI InChI=1S/C20H17N3O7S/c1-28-17-7-8-18-20(30-11-29-18)19(17)15-9-12(5-6-16(15)21)22-31(26,27)14-4-2-3-13(10-14)23(24)25/h2-10,22H,11,21H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32176
PNG
(N-[4-amino-3-(2-ethoxy-1-naphthalenyl)phenyl]-2,5-...)
Show SMILES CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N
Show InChI InChI=1S/C24H20Cl2N2O3S/c1-2-31-22-12-7-15-5-3-4-6-18(15)24(22)19-14-17(9-11-21(19)27)28-32(29,30)23-13-16(25)8-10-20(23)26/h3-14,28H,2,27H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32149
PNG
(4-fluoranyl-N-(6-oxidanylquinolin-8-yl)benzenesulf...)
Show SMILES Oc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1
Show InChI InChI=1S/C15H11FN2O3S/c16-11-3-5-13(6-4-11)22(20,21)18-14-9-12(19)8-10-2-1-7-17-15(10)14/h1-9,18-19H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32168
PNG
(2,5-bis(chloranyl)-N-[3-(2-hydroxyphenyl)-4-oxidan...)
Show SMILES Oc1ccccc1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O
Show InChI InChI=1S/C18H13Cl2NO4S/c19-11-5-7-15(20)18(9-11)26(24,25)21-12-6-8-17(23)14(10-12)13-3-1-2-4-16(13)22/h1-10,21-23H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32184
PNG
(CHEMBL209511 | N-(4-chloranyl-2-oxidanyl-phenyl)be...)
Show SMILES Oc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H10ClNO3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32160
PNG
(N-[4-amino-3-(2-hydroxyphenyl)phenyl]-2,5-dichloro...)
Show SMILES Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1ccccc1O
Show InChI InChI=1S/C18H14Cl2N2O3S/c19-11-5-7-15(20)18(9-11)26(24,25)22-12-6-8-16(21)14(10-12)13-3-1-2-4-17(13)23/h1-10,22-23H,21H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>6.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32179
PNG
(3-amino-N-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]ben...)
Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
Show InChI InChI=1S/C18H16N2O4S/c19-12-4-3-5-14(10-12)25(23,24)20-13-8-9-18(22)16(11-13)15-6-1-2-7-17(15)21/h1-11,20-22H,19H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%