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Found 22 hits Enz. Inhib. hit(s) with Target = 'Heat-shock protein 90 (Hsp90)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 90 (Hsp90)


(Homo sapiens (Human))
BDBM50008059
PNG
(CHEBI:5292 | GELDANAMYCIN)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, reaction mixes (100 ÁL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...


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Ligand-Target Pair
3D
3D Structure (crystal)
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM50008057
PNG
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, reaction mixes (100 ÁL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...


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More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166675
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-4H-be...)
Show SMILES ON=C1CCCc2c(noc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C13H11ClN2O4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(15-19)13(6)20-16-12/h4-5,17-19H,1-3H2/b15-9-
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n/an/a 800n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166670
PNG
(17-AAG)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C=C\[C@H](C)C1)C2=O
Show InChI InChI=1/C30H41N3O7/c1-7-13-32-27-22-16-19(3)15-21(38-5)14-18(2)11-12-26(40-30(31)37)25(39-6)10-8-9-20(4)29(36)33-23(28(22)35)17-24(27)34/h7-12,17-19,21,25-26,32H,1,13-16H2,2-6H3,(H2,31,37)(H,33,36)/b10-8-,12-11+,20-9+/t18-,19-,21+,25-,26-/s2
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166672
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydroisoxaz...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1noc2c1CCNC2=O
Show InChI InChI=1S/C12H9ClN2O4/c13-7-3-6(8(16)4-9(7)17)10-5-1-2-14-12(18)11(5)19-15-10/h3-4,16-17H,1-2H2,(H,14,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM152737
PNG
(17-(3-trifluoromethylphenylamino)-17-demethoxygeld...)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCc3cccc(c3)C(F)(F)F)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, reaction mixes (100 ÁL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166673
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydrobenzo[...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1noc2c1CCCC2=O
Show InChI InChI=1S/C13H10ClNO4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(16)13(6)19-15-12/h4-5,17-18H,1-3H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166676
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-4H-be...)
Show SMILES NCCON=C1CCCc2c(noc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C15H16ClN3O4/c16-10-6-9(12(20)7-13(10)21)14-8-2-1-3-11(15(8)23-19-14)18-22-5-4-17/h6-7,20-21H,1-5,17H2/b18-11-
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166671
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-6-met...)
Show SMILES CN1CCc2c(noc2C1=O)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C13H11ClN2O4/c1-16-3-2-6-11(15-20-12(6)13(16)19)7-4-8(14)10(18)5-9(7)17/h4-5,17-18H,2-3H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166674
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-4,5,6,7-tetrahydr...)
Show SMILES OC1CCCc2c1onc2-c1cc(Cl)c(O)cc1O
Show InChI InChI=1/C13H12ClNO4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(16)13(6)19-15-12/h4-5,9,16-18H,1-3H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166678
PNG
(4-(7-Hydroxyimino-4,5,6,7-tetrahydro-benzo[d]isoxa...)
Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=NO
Show InChI InChI=1S/C14H13N3O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(16-19)13(10)20-17-12/h4-7,19H,1-3H2,(H2,15,18)/b16-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166677
PNG
(4-(7-Oxo-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)-...)
Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=O
Show InChI InChI=1S/C14H12N2O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(17)13(10)19-16-12/h4-7H,1-3H2,(H2,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166681
PNG
(4-(7-Hydroxy-4,5,6,7-tetrahydro-benzo[d]isoxazol-3...)
Show SMILES NC(=O)c1ccc(cc1)-c1noc2C(O)CCCc12
Show InChI InChI=1/C14H14N2O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(17)13(10)19-16-12/h4-7,11,17H,1-3H2,(H2,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166679
PNG
(4-(7-(2-Morpholin-4-yl-ethoxyimino)-4,5,6,7-tetrah...)
Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=NOCCN1CCOCC1
Show InChI InChI=1S/C20H24N4O4/c21-20(25)15-6-4-14(5-7-15)18-16-2-1-3-17(19(16)28-23-18)22-27-13-10-24-8-11-26-12-9-24/h4-7H,1-3,8-13H2,(H2,21,25)/b22-17-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM166680
PNG
(4-(7-(2-Aminoethoxyimino)-4,5,6,7-tetrahydrobenzo[...)
Show SMILES NCCON=C1CCCc2c(noc12)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H18N4O3/c17-8-9-22-19-13-3-1-2-12-14(20-23-15(12)13)10-4-6-11(7-5-10)16(18)21/h4-7H,1-3,8-9,17H2,(H2,18,21)/b19-13-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano



Assay Description
The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).


Citation and Details
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227589
PNG
(Radicicol)
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n/an/an/a 46.3n/an/an/a7.515


TBA



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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
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n/an/an/a 25n/an/an/a7.515


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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227590
PNG
(PA1)
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n/an/an/a 6n/an/an/a7.515


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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227591
PNG
(PA7)
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n/an/an/a 27.3n/an/an/a7.515


TBA



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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227592
PNG
(PS2)
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n/an/an/a 5.09E+4n/an/an/a7.515


TBA



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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227593
PNG
(PS8)
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n/an/an/a 6.01E+4n/an/an/a7.515


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Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM227594
PNG
(PS10)
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n/an/an/a 4.70E+4n/an/an/a7.515


TBA



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Ligand-Target Pair