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PubMed code 25855505

Compile data set for download or QSAR
Found 12 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
Putative heat shock protein HSP 90-alpha A4


(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 |w:1.0|
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-
PDB

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Article
PubMed
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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 |r,c:7,23,t:15,21,33|
Show InChI InChI=1S/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-/m0/s1
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PubMed
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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 |w:4.3|
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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PubMed
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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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PubMed
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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=1S/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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Article
PubMed
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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=1S/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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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 |w:18.21|
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(Homo sapiens (Human))
BDBM166678
PNG
(4-(7-Hydroxyimino-4,5,6,7-tetrahydro-benzo[d]isoxa...)
Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=NO |w:18.21|
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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(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)
PDB

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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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4


(Homo sapiens (Human))
BDBM166680
PNG
(4-(7-(2-Aminoethoxyimino)-4,5,6,7-tetrahydrobenzo[...)
Show SMILES NCCON=C1CCCc2c(noc12)-c1ccc(cc1)C(N)=O |w:4.3|
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-
PDB

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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).


Chem Biol Drug Des 86: 1030-5 (2015)


Article DOI: 10.1111/cbdd.12570
BindingDB Entry DOI: 10.7270/Q22806CD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%