Compile Data Set for Download or QSAR
Found 4431 Enz. Inhib. hit(s) with Target = 'Heat shock factor protein 1'
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234074(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234074(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234073(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 12nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234073(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 12nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
Affinity DataIC50: 19nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
Affinity DataIC50: 19nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234085(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
Affinity DataIC50: 26nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234085(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
Affinity DataIC50: 26nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
Affinity DataIC50: 40nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
Affinity DataIC50: 40nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234090(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 51nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234090(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 51nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234074(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
Affinity DataIC50: 68nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234074(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
Affinity DataIC50: 68nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
Affinity DataIC50: 115nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
Affinity DataIC50: 120nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234079(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 220nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234079(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
Affinity DataIC50: 224nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234076(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 447nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234076(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 450nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50114871(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)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of HSF1 (unknown origin) assessed as reduction in HSF1--mediated HSP transcriptionMore data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234072(CHEMBL4099031)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 2.57E+3nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234072(CHEMBL4099031)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234086(CHEMBL4082534)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2cccc3OCCOc23)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-6-10-20(29-27(32)21-4-3-5-24-25(21)34-13-12-33-24)15-23(16)30-26(31)19-9-11-22-18(14-19)8-7-17(2)28-22/h3-11,14-15H,12-13H2,1-2H3,(H,29,32)(H,30,31)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50396483(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50396483(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50428286(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234089(CHEMBL4063608)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NS(=O)(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C26H23N3O5S/c1-16-3-7-20(29-35(31,32)21-8-10-24-25(15-21)34-12-11-33-24)14-23(16)28-26(30)19-6-9-22-18(13-19)5-4-17(2)27-22/h3-10,13-15,29H,11-12H2,1-2H3,(H,28,30)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234081(CHEMBL4077611)
Show SMILES CN(C(=O)c1ccc2OCCOc2c1)c1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C28H25N3O4/c1-17-4-9-22(31(3)28(33)21-8-11-25-26(15-21)35-13-12-34-25)16-24(17)30-27(32)20-7-10-23-19(14-20)6-5-18(2)29-23/h4-11,14-16H,12-13H2,1-3H3,(H,30,32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234081(CHEMBL4077611)
Show SMILES CN(C(=O)c1ccc2OCCOc2c1)c1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C28H25N3O4/c1-17-4-9-22(31(3)28(33)21-8-11-25-26(15-21)35-13-12-34-25)16-24(17)30-27(32)20-7-10-23-19(14-20)6-5-18(2)29-23/h4-11,14-16H,12-13H2,1-3H3,(H,30,32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234088(CHEMBL4081256)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)c(C)cc1C
Show InChI InChI=1S/C28H25N3O4/c1-16-12-17(2)24(31-28(33)21-7-9-25-26(14-21)35-11-10-34-25)15-23(16)30-27(32)20-6-8-22-19(13-20)5-4-18(3)29-22/h4-9,12-15H,10-11H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234087(CHEMBL4091297)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1c(C)ccc(NC(=O)c2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C28H25N3O4/c1-16-4-9-22(30-27(32)21-8-11-24-25(15-21)35-13-12-34-24)18(3)26(16)31-28(33)20-7-10-23-19(14-20)6-5-17(2)29-23/h4-11,14-15H,12-13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234087(CHEMBL4091297)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1c(C)ccc(NC(=O)c2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C28H25N3O4/c1-16-4-9-22(30-27(32)21-8-11-24-25(15-21)35-13-12-34-24)18(3)26(16)31-28(33)20-7-10-23-19(14-20)6-5-17(2)29-23/h4-11,14-15H,12-13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234077(CHEMBL4066791)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234077(CHEMBL4066791)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234086(CHEMBL4082534)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2cccc3OCCOc23)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-6-10-20(29-27(32)21-4-3-5-24-25(21)34-13-12-33-24)15-23(16)30-26(31)19-9-11-22-18(14-19)8-7-17(2)28-22/h3-11,14-15H,12-13H2,1-2H3,(H,29,32)(H,30,31)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50153835(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234084(CHEMBL4091953)
Show SMILES Cc1ccc(NC(=O)c2cccc3OCCOc23)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-7-10-24(33-32(38)25-5-4-6-28-30(25)41-18-17-39-28)20-27(21)35-31(37)23-8-11-26-22(19-23)9-12-29(34-26)40-16-15-36-13-2-3-14-36/h4-12,19-20H,2-3,13-18H2,1H3,(H,33,38)(H,35,37)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50029085(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+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50430022(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM99471(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM99471(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50430022(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM31088(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234075(CHEMBL4063438)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCOCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-3-9-24(30-27(32)21-7-6-19-11-12-34-16-23(19)14-21)15-26(17)31-28(33)22-8-10-25-20(13-22)5-4-18(2)29-25/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234084(CHEMBL4091953)
Show SMILES Cc1ccc(NC(=O)c2cccc3OCCOc23)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-7-10-24(33-32(38)25-5-4-6-28-30(25)41-18-17-39-28)20-27(21)35-31(37)23-8-11-26-22(19-23)9-12-29(34-26)40-16-15-36-13-2-3-14-36/h4-12,19-20H,2-3,13-18H2,1H3,(H,33,38)(H,35,37)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234075(CHEMBL4063438)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCOCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-3-9-24(30-27(32)21-7-6-19-11-12-34-16-23(19)14-21)15-26(17)31-28(33)22-8-10-25-20(13-22)5-4-18(2)29-25/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234088(CHEMBL4081256)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)c(C)cc1C
Show InChI InChI=1S/C28H25N3O4/c1-16-12-17(2)24(31-28(33)21-7-9-25-26(14-21)35-11-10-34-25)15-23(16)30-27(32)20-6-8-22-19(13-20)5-4-18(3)29-22/h4-9,12-15H,10-11H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234089(CHEMBL4063608)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NS(=O)(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C26H23N3O5S/c1-16-3-7-20(29-35(31,32)21-8-10-24-25(15-21)34-12-11-33-24)14-23(16)28-26(30)19-6-9-22-18(13-19)5-4-17(2)27-22/h3-10,13-15,29H,11-12H2,1-2H3,(H,28,30)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50428286(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)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
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