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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with Target = 'Heat shock factor protein 1' 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 factor protein 1


(Homo sapiens)
BDBM50114871
PNG
(CHEMBL3609826)
Show SMILES CNc1ccc(c(Nc2ccc3[nH]ncc3c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition of HSF1 (unknown origin) assessed as reduction in HSF1--mediated HSP transcription


Bioorg Med Chem Lett 25: 3409-14 (2015)

More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition of HSF1 (unknown origin)


Bioorg Med Chem Lett 25: 3409-14 (2015)

More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295784
PNG
(CHEMBL560657 | N-(3-(dibutylamino)-2-hydroxypropox...)
Show SMILES CCCCN(CCCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C19H28ClN3O3/c1-3-5-11-23(12-6-4-2)13-15(24)14-25-22-18(20)19-21-16-9-7-8-10-17(16)26-19/h7-10,15,24H,3-6,11-14H2,1-2H3/b22-18-
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n/an/an/an/a 2.09E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295785
PNG
(CHEMBL552321 | N-(3-(dipropylamino)-2-hydroxypropo...)
Show SMILES CCCN(CCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C17H24ClN3O3/c1-3-9-21(10-4-2)11-13(22)12-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,13,22H,3-4,9-12H2,1-2H3/b20-16-
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n/an/an/an/a 2.39E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295786
PNG
(CHEMBL552320 | N-(3-(diethylamino)-2-hydroxypropox...)
Show SMILES CCN(CC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C15H20ClN3O3/c1-3-19(4-2)9-11(20)10-21-18-14(16)15-17-12-7-5-6-8-13(12)22-15/h5-8,11,20H,3-4,9-10H2,1-2H3/b18-14-
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n/an/an/an/a 2.71E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296052
PNG
(1-butyl-6-methyl-3-(5-methylfuran-2-yl)pyrimido[5,...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)o1
Show InChI InChI=1S/C15H17N5O3/c1-4-5-8-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-7-6-9(2)23-10/h6-7H,4-5,8H2,1-3H3
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n/an/an/an/a 9.90E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296053
PNG
(1-butyl-6-methyl-3-(5-methylfuran-2-yl)-5,7-dioxo-...)
Show SMILES CCCCn1nc(-c2ccc(C)o2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C15H17N5O4/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296054
PNG
(1-ethyl-6-methyl-3-(5-methylfuran-2-yl)pyrimido[5,...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)o1
Show InChI InChI=1S/C13H13N5O3/c1-4-18-11-9(12(19)17(3)13(20)15-11)14-10(16-18)8-6-5-7(2)21-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 4.63E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296055
PNG
(1-ethyl-6-methyl-3-(5-methylfuran-2-yl)-5,7-dioxo-...)
Show SMILES CCn1nc(-c2ccc(C)o2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C13H13N5O4/c1-4-17-11-9(12(19)16(3)13(20)14-11)18(21)10(15-17)8-6-5-7(2)22-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 2.06E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296056
PNG
(1-ethyl-3-(furan-2-yl)-6-methylpyrimido[5,4-e][1,2...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccco1
Show InChI InChI=1S/C12H11N5O3/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/an/an/a 1.01E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296057
PNG
(1-ethyl-6-methyl-3-(1H-pyrrol-2-yl)pyrimido[5,4-e]...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc[nH]1
Show InChI InChI=1S/C12H12N6O2/c1-3-18-10-8(11(19)17(2)12(20)15-10)14-9(16-18)7-5-4-6-13-7/h4-6,13H,3H2,1-2H3
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n/an/an/an/a 3.50E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296058
PNG
(1-ethyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,...)
Show SMILES CCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C12H12N6O3/c1-3-17-10-8(11(19)16(2)12(20)14-10)18(21)9(15-17)7-5-4-6-13-7/h4-6,13H,3H2,1-2H3
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n/an/an/an/a 2.47E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296059
PNG
(1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,...)
Show SMILES CCCCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C14H16N6O3/c1-3-4-8-19-12-10(13(21)18(2)14(22)16-12)20(23)11(17-19)9-6-5-7-15-9/h5-7,15H,3-4,8H2,1-2H3
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n/an/an/an/a 1.49E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296060
PNG
(1-ethyl-3-(1H-imidazol-2-yl)-6-methylpyrimido[5,4-...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ncc[nH]1
Show InChI InChI=1S/C11H11N7O2/c1-3-18-9-6(10(19)17(2)11(20)15-9)14-8(16-18)7-12-4-5-13-7/h4-5H,3H2,1-2H3,(H,12,13)
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n/an/an/an/a 3.98E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296061
PNG
(1-butyl-3-(1H-imidazol-2-yl)-6-methylpyrimido[5,4-...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ncc[nH]1
Show InChI InChI=1S/C13H15N7O2/c1-3-4-7-20-11-8(12(21)19(2)13(22)17-11)16-10(18-20)9-14-5-6-15-9/h5-6H,3-4,7H2,1-2H3,(H,14,15)
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n/an/an/an/a 7.70E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296062
PNG
(1-butyl-6-methyl-3-(thiazol-2-yl)pyrimido[5,4-e][1...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nccs1
Show InChI InChI=1S/C13H14N6O2S/c1-3-4-6-19-10-8(12(20)18(2)13(21)16-10)15-9(17-19)11-14-5-7-22-11/h5,7H,3-4,6H2,1-2H3
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n/an/an/an/a 2.10E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296063
PNG
(3-(1H-benzo[d]imidazol-2-yl)-1-butyl-6-methylpyrim...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H17N7O2/c1-3-4-9-24-15-12(16(25)23(2)17(26)21-15)20-14(22-24)13-18-10-7-5-6-8-11(10)19-13/h5-8H,3-4,9H2,1-2H3,(H,18,19)
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n/an/an/an/a 4.08E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296064
PNG
(1-butyl-6-methyl-3-(quinolin-2-yl)pyrimido[5,4-e][...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2n1
Show InChI InChI=1S/C19H18N6O2/c1-3-4-11-25-17-15(18(26)24(2)19(27)22-17)21-16(23-25)14-10-9-12-7-5-6-8-13(12)20-14/h5-10H,3-4,11H2,1-2H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296065
PNG
(3-(benzo[d]thiazol-2-yl)-1-butyl-6-methylpyrimido[...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N6O2S/c1-3-4-9-23-14-12(16(24)22(2)17(25)20-14)19-13(21-23)15-18-10-7-5-6-8-11(10)26-15/h5-8H,3-4,9H2,1-2H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296066
PNG
(3-(benzo[d]thiazol-2-yl)-1-isopentyl-6-methylpyrim...)
Show SMILES CC(C)CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C18H18N6O2S/c1-10(2)8-9-24-15-13(17(25)23(3)18(26)21-15)20-14(22-24)16-19-11-6-4-5-7-12(11)27-16/h4-7,10H,8-9H2,1-3H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296067
PNG
(3-(benzo[d]thiazol-2-yl)-1-isobutyl-6-methylpyrimi...)
Show SMILES CC(C)Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N6O2S/c1-9(2)8-23-14-12(16(24)22(3)17(25)20-14)19-13(21-23)15-18-10-6-4-5-7-11(10)26-15/h4-7,9H,8H2,1-3H3
PDB

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n/an/an/an/a 1.30E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296068
PNG
(3-(benzo[d]thiazol-2-yl)-1-benzyl-6-methylpyrimido...)
Show SMILES Cn1c(=O)nc2n(Cc3ccccc3)nc(nc2c1=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H14N6O2S/c1-25-19(27)15-17(23-20(25)28)26(11-12-7-3-2-4-8-12)24-16(22-15)18-21-13-9-5-6-10-14(13)29-18/h2-10H,11H2,1H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296069
PNG
(3-(benzo[d]thiazol-2-yl)-1-(4-fluorobenzyl)-6-meth...)
Show SMILES Cn1c(=O)nc2n(Cc3ccc(F)cc3)nc(nc2c1=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H13FN6O2S/c1-26-19(28)15-17(24-20(26)29)27(10-11-6-8-12(21)9-7-11)25-16(23-15)18-22-13-4-2-3-5-14(13)30-18/h2-9H,10H2,1H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296070
PNG
(1-butyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]tri...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O2/c1-3-4-10-21-14-12(15(22)20(2)16(23)18-14)17-13(19-21)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
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n/an/an/an/a 1.48E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human HeLa cells assessed as granule formation pretreated for 3 hrs by immunocytochemical staining


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
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/an/an/a 5.10E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296071
PNG
(1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1
Show InChI InChI=1S/C13H13N5O2S/c1-4-18-11-9(12(19)17(3)13(20)15-11)14-10(16-18)8-6-5-7(2)21-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 1.73E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50296072
PNG
(1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...)
Show SMILES CCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C13H13N5O3S/c1-4-17-11-9(12(19)16(3)13(20)14-11)18(21)10(15-17)8-6-5-7(2)22-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 1.16E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295787
PNG
(CHEMBL557917 | N-(3-(2,6-dimethylpiperidin-1-yl)-2...)
Show SMILES CC1CCCC(C)N1CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C18H24ClN3O3/c1-12-6-5-7-13(2)22(12)10-14(23)11-24-21-17(19)18-20-15-8-3-4-9-16(15)25-18/h3-4,8-9,12-14,23H,5-7,10-11H2,1-2H3/b21-17-
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n/an/an/an/a 3.24E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295788
PNG
(CHEMBL561119 | N-(3-(3,5-dimethylpiperidin-1-yl)-2...)
Show SMILES CC1CC(C)CN(CC(O)CO\N=C(/Cl)c2nc3ccccc3o2)C1
Show InChI InChI=1S/C18H24ClN3O3/c1-12-7-13(2)9-22(8-12)10-14(23)11-24-21-17(19)18-20-15-5-3-4-6-16(15)25-18/h3-6,12-14,23H,7-11H2,1-2H3/b21-17-
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n/an/an/an/a 1.74E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295789
PNG
(CHEMBL570771 | N-(3-(3-fluoropiperidin-1-yl)-2-hyd...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2o1)CN1CCCC(F)C1
Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-5-1-2-6-14(13)24-16)20-23-10-12(22)9-21-7-3-4-11(18)8-21/h1-2,5-6,11-12,22H,3-4,7-10H2/b20-15-
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n/an/an/an/a 5.26E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295790
PNG
(CHEMBL550790 | N-(2-hydroxy-3-(pyrrolidin-1-yl)pro...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2s1)CN1CCCC1
Show InChI InChI=1S/C15H18ClN3O2S/c16-14(15-17-12-5-1-2-6-13(12)22-15)18-21-10-11(20)9-19-7-3-4-8-19/h1-2,5-6,11,20H,3-4,7-10H2/b18-14-
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n/an/an/an/a 6.28E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295791
PNG
(CHEMBL552259 | N-(2-hydroxy-3-(piperidin-1-yl)prop...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2s1)CN1CCCCC1
Show InChI InChI=1S/C16H20ClN3O2S/c17-15(16-18-13-6-2-3-7-14(13)23-16)19-22-11-12(21)10-20-8-4-1-5-9-20/h2-3,6-7,12,21H,1,4-5,8-11H2/b19-15-
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n/an/an/an/a 5.26E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295796
PNG
(6-chloro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccc(Cl)cc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19Cl2N3O3/c17-11-4-5-13-14(8-11)24-16(19-13)15(18)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-
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n/an/an/an/a 2.29E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295797
PNG
(5-chloro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2cc(Cl)ccc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19Cl2N3O3/c17-11-4-5-14-13(8-11)19-16(24-14)15(18)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-
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n/an/an/an/a 2.09E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295798
PNG
(CHEMBL550653 | N-(2-hydroxy-3-(piperidin-1-yl)prop...)
Show SMILES Cc1ccc2nc(oc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
Show InChI InChI=1S/C17H22ClN3O3/c1-12-5-6-14-15(9-12)24-17(19-14)16(18)20-23-11-13(22)10-21-7-3-2-4-8-21/h5-6,9,13,22H,2-4,7-8,10-11H2,1H3/b20-16-
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n/an/an/an/a 3.10E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295799
PNG
(CHEMBL564701 | N-(2-hydroxy-3-(piperidin-1-yl)prop...)
Show SMILES Cc1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
Show InChI InChI=1S/C17H22ClN3O3/c1-12-5-6-15-14(9-12)19-17(24-15)16(18)20-23-11-13(22)10-21-7-3-2-4-8-21/h5-6,9,13,22H,2-4,7-8,10-11H2,1H3/b20-16-
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n/an/an/an/a 4.16E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295800
PNG
(7-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2cccc(F)c2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-6-4-5-12(18)14(13)24-16)20-23-10-11(22)9-21-7-2-1-3-8-21/h4-6,11,22H,1-3,7-10H2/b20-15-
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n/an/an/an/a 1.85E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295801
PNG
(4-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2c(F)cccc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-14-12(18)5-4-6-13(14)24-16)20-23-10-11(22)9-21-7-2-1-3-8-21/h4-6,11,22H,1-3,7-10H2/b20-15-
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n/an/an/an/a 2.02E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295802
PNG
(6-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccc(F)cc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-5-4-11(18)8-14(13)24-16)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-
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n/an/an/an/a 2.94E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295803
PNG
(5-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...)
Show SMILES OC(CO\N=C(/Cl)c1nc2cc(F)ccc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-8-11(18)4-5-14(13)24-16)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-
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n/an/an/an/a 5.13E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295804
PNG
(CHEMBL564532 | N-(3-((cyclopropylmethyl)(isopropyl...)
Show SMILES CC(C)N(CC(O)CO\N=C(/Cl)c1nc2ccccc2o1)CC1CC1
Show InChI InChI=1S/C18H24ClN3O3/c1-12(2)22(9-13-7-8-13)10-14(23)11-24-21-17(19)18-20-15-5-3-4-6-16(15)25-18/h3-6,12-14,23H,7-11H2,1-2H3/b21-17-
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n/an/an/an/a 1.24E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295805
PNG
(CHEMBL560380 | N-(3-((3-fluoropropyl)(isopropyl)am...)
Show SMILES CC(C)N(CCCF)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C17H23ClFN3O3/c1-12(2)22(9-5-8-19)10-13(23)11-24-21-16(18)17-20-14-6-3-4-7-15(14)25-17/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3/b21-16-
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n/an/an/an/a 2.28E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295806
PNG
(CHEMBL561724 | N-(2-hydroxy-3-((2-hydroxyethyl)(is...)
Show SMILES CC(C)N(CCO)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show InChI InChI=1S/C16H22ClN3O4/c1-11(2)20(7-8-21)9-12(22)10-23-19-15(17)16-18-13-5-3-4-6-14(13)24-16/h3-6,11-12,21-22H,7-10H2,1-2H3/b19-15-
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n/an/an/an/a 2.87E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295807
PNG
((S)-N-(2-hydroxy-3-(isopropyl(propyl)amino)propoxy...)
Show SMILES CCCN(C[C@H](O)CO\N=C(/Cl)c1nc2ccccc2o1)C(C)C
Show InChI InChI=1S/C17H24ClN3O3/c1-4-9-21(12(2)3)10-13(22)11-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,12-13,22H,4,9-11H2,1-3H3/b20-16-/t13-/m0/s1
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n/an/an/an/a 2.41E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295792
PNG
(CHEMBL550179 | N-(2-hydroxy-3-(piperidin-1-yl)prop...)
Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2o1)CN1CCCCC1
Show InChI InChI=1S/C16H20ClN3O3/c17-15(16-18-13-6-2-3-7-14(13)23-16)19-22-11-12(21)10-20-8-4-1-5-9-20/h2-3,6-7,12,21H,1,4-5,8-11H2/b19-15-
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n/an/an/an/a 4.17E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295793
PNG
(CHEMBL551057 | N-(2-hydroxy-3-(piperidin-1-yl)prop...)
Show SMILES OC(CO\N=C(/Cl)c1nc2c(ccc3ccccc23)o1)CN1CCCCC1
Show InChI InChI=1S/C20H22ClN3O3/c21-19(23-26-13-15(25)12-24-10-4-1-5-11-24)20-22-18-16-7-3-2-6-14(16)8-9-17(18)27-20/h2-3,6-9,15,25H,1,4-5,10-13H2/b23-19-
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n/an/an/an/a 1.21E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295794
PNG
(6-(N,N-dimethylsulfamoyl)-N-(2-hydroxy-3-(piperidi...)
Show SMILES CN(C)S(=O)(=O)c1ccc2nc(oc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
Show InChI InChI=1S/C18H25ClN4O5S/c1-22(2)29(25,26)14-6-7-15-16(10-14)28-18(20-15)17(19)21-27-12-13(24)11-23-8-4-3-5-9-23/h6-7,10,13,24H,3-5,8-9,11-12H2,1-2H3/b21-17-
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n/an/an/an/a 4.16E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens)
BDBM50295795
PNG
(5-(ethylsulfonyl)-N-(2-hydroxy-3-(piperidin-1-yl)p...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
Show InChI InChI=1S/C18H24ClN3O5S/c1-2-28(24,25)14-6-7-16-15(10-14)20-18(27-16)17(19)21-26-12-13(23)11-22-8-4-3-5-9-22/h6-7,10,13,23H,2-5,8-9,11-12H2,1H3/b21-17-
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n/an/an/an/a 4.29E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...


Citation and Details
More data for this
Ligand-Target Pair
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