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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with Target = 'Heat shock factor protein 1'   
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 factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
PDB

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n/an/a 2.80n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
PDB

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n/an/a 2.80n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
PDB

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n/an/a 19n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
PDB

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n/an/a 19n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
PDB

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n/an/a 26n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
PDB

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n/an/a 26n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
PDB

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n/an/a 40n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
PDB

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n/an/a 40n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
PDB

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n/an/a 51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
PDB

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n/an/a 51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
PDB

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n/an/a 68n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
PDB

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n/an/a 68n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
PDB

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n/an/a 115n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
PDB

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n/an/a 120n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
PDB

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n/an/a 220n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
PDB

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n/an/a 224n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
PDB

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n/an/a 447n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
PDB

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n/an/a 450n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
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


Citation and Details
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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234072
PNG
(CHEMBL4099031)
PDB

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n/an/a 2.57E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50234072
PNG
(CHEMBL4099031)
PDB

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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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TBA



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


(Homo sapiens (Human))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM99471
PNG
(US8497274, 32)
Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
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TBA



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


(Homo sapiens (Human))
BDBM99471
PNG
(US8497274, 32)
Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
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TBA



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


(Homo sapiens (Human))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50029085
PNG
(CHEBI:83405 | CHEMBL525191 | GDC-0879)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
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TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234084
PNG
(CHEMBL4091953)
PDB

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TBA



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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50153835
PNG
(1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyp...)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234086
PNG
(CHEMBL4082534)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234077
PNG
(CHEMBL4066791)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234077
PNG
(CHEMBL4066791)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234075
PNG
(CHEMBL4063438)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234087
PNG
(CHEMBL4091297)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234087
PNG
(CHEMBL4091297)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234088
PNG
(CHEMBL4081256)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234081
PNG
(CHEMBL4077611)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234081
PNG
(CHEMBL4077611)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234089
PNG
(CHEMBL4063608)
PDB

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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234086
PNG
(CHEMBL4082534)
PDB

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


(Homo sapiens (Human))
BDBM50234075
PNG
(CHEMBL4063438)
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More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234088
PNG
(CHEMBL4081256)
PDB

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


(Homo sapiens (Human))
BDBM50234089
PNG
(CHEMBL4063608)
PDB

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


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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Citation and Details
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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Ligand-Target Pair
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