Compile Data Set for Download or QSAR
Found 91 Enz. Inhib. hit(s) with all data for entry = 50004787
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485848(CHEMBL2170479)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h9-13H,1-8H2,(H2,23,24,25)
Affinity DataIC50: 10nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485868(CHEMBL2170484)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCCc4cc3Br)nc12
Show InChI InChI=1S/C22H25BrN6OS/c23-17-10-15-2-1-3-16(15)11-18(17)31-22-27-19-20(24)25-12-26-21(19)29(22)9-6-14-4-7-28(13-30)8-5-14/h10-14H,1-9H2,(H2,24,25,26)
Affinity DataIC50: 20nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485857(CHEMBL2170480)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H27BrN6O3S/c1-13(31)22(32)29-6-2-14(3-7-29)4-8-30-21-19(20(25)26-12-27-21)28-23(30)34-18-11-17-15(5-9-33-17)10-16(18)24/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1
Affinity DataIC50: 28nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485824(CHEMBL2170448)
Show SMILES Nc1ncnc2n(CCc3ccccc3F)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrFN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 30nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485823(bromoderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 30nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485861(chloroderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 30nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485842(CHEMBL2170463)
Show SMILES Cn1nnnc1N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H23BrN10O2S/c1-30-20(27-28-29-30)31-5-2-12(3-6-31)4-7-32-19-17(18(23)24-10-25-19)26-21(32)35-16-9-15-14(8-13(16)22)33-11-34-15/h8-10,12H,2-7,11H2,1H3,(H2,23,24,25)
Affinity DataIC50: 31nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485846(CHEMBL2170489)
Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12
Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)
Affinity DataIC50: 32nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485857(CHEMBL2170480)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H27BrN6O3S/c1-13(31)22(32)29-6-2-14(3-7-29)4-8-30-21-19(20(25)26-12-27-21)28-23(30)34-18-11-17-15(5-9-33-17)10-16(18)24/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1
Affinity DataIC50: 34nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485850(CHEMBL2170473)
Show SMILES CC(=O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H23BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,13H,2-7,11H2,1H3,(H2,24,25,26)
Affinity DataIC50: 34nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485833(CHEMBL2170486)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCCOc4cc3Br)nc12
Show InChI InChI=1S/C22H25BrN6O4S/c23-14-9-15-16(33-8-7-32-15)10-17(14)34-22-27-19-20(24)25-12-26-21(19)29(22)6-3-13-1-4-28(5-2-13)18(31)11-30/h9-10,12-13,30H,1-8,11H2,(H2,24,25,26)
Affinity DataIC50: 40nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485848(CHEMBL2170479)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h9-13H,1-8H2,(H2,23,24,25)
Affinity DataIC50: 40nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485842(CHEMBL2170463)
Show SMILES Cn1nnnc1N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H23BrN10O2S/c1-30-20(27-28-29-30)31-5-2-12(3-6-31)4-7-32-19-17(18(23)24-10-25-19)26-21(32)35-16-9-15-14(8-13(16)22)33-11-34-15/h8-10,12H,2-7,11H2,1H3,(H2,23,24,25)
Affinity DataIC50: 45nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485835(CHEMBL2170482)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4occc4cc3Br)nc12
Show InChI InChI=1S/C21H21BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h4,8-13H,1-3,5-7H2,(H2,23,24,25)
Affinity DataIC50: 48nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485865(CHEMBL2170485)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCOc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O3S/c22-14-9-15-16(31-8-7-30-15)10-17(14)32-21-26-18-19(23)24-11-25-20(18)28(21)6-3-13-1-4-27(12-29)5-2-13/h9-13H,1-8H2,(H2,23,24,25)
Affinity DataIC50: 49nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485823(bromoderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 50nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485824(CHEMBL2170448)
Show SMILES Nc1ncnc2n(CCc3ccccc3F)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrFN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 50nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485861(chloroderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 50nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485826(CHEMBL2170452)
Show SMILES Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C19H20BrN5O3S/c20-12-7-13-14(28-10-27-13)8-15(12)29-19-24-16-17(21)22-9-23-18(16)25(19)4-1-11-2-5-26-6-3-11/h7-9,11H,1-6,10H2,(H2,21,22,23)
Affinity DataIC50: 57nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485835(CHEMBL2170482)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4occc4cc3Br)nc12
Show InChI InChI=1S/C21H21BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h4,8-13H,1-3,5-7H2,(H2,23,24,25)
Affinity DataIC50: 59nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485830(CHEMBL2170491)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCC(=O)c4cc3Br)nc12
Show InChI InChI=1S/C22H23BrN6O2S/c23-16-10-15-14(1-2-17(15)31)9-18(16)32-22-27-19-20(24)25-11-26-21(19)29(22)8-5-13-3-6-28(12-30)7-4-13/h9-13H,1-8H2,(H2,24,25,26)
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485841(CHEMBL2170465)
Show SMILES CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H23BrN6O3S/c1-12(29)27-5-2-13(3-6-27)4-7-28-20-18(19(23)24-10-25-20)26-21(28)32-17-9-16-15(8-14(17)22)30-11-31-16/h8-10,13H,2-7,11H2,1H3,(H2,23,24,25)
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485836(CHEMBL2170478)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)[C@@H]3CCCN3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C24H28BrN7O3S/c25-15-10-17-18(35-13-34-17)11-19(15)36-24-30-20-21(26)28-12-29-22(20)32(24)9-5-14-3-7-31(8-4-14)23(33)16-2-1-6-27-16/h10-12,14,16,27H,1-9,13H2,(H2,26,28,29)/t16-/m0/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485865(CHEMBL2170485)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCOc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O3S/c22-14-9-15-16(31-8-7-30-15)10-17(14)32-21-26-18-19(23)24-11-25-20(18)28(21)6-3-13-1-4-27(12-29)5-2-13/h9-13H,1-8H2,(H2,23,24,25)
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485830(CHEMBL2170491)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCC(=O)c4cc3Br)nc12
Show InChI InChI=1S/C22H23BrN6O2S/c23-16-10-15-14(1-2-17(15)31)9-18(16)32-22-27-19-20(24)25-11-26-21(19)29(22)8-5-13-3-6-28(12-30)7-4-13/h9-13H,1-8H2,(H2,24,25,26)
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485851(CHEMBL2170469)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O4S/c22-13-7-14-15(32-11-31-14)8-16(13)33-21-26-18-19(23)24-10-25-20(18)28(21)6-3-12-1-4-27(5-2-12)17(30)9-29/h7-8,10,12,29H,1-6,9,11H2,(H2,23,24,25)
Affinity DataIC50: 60nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485846(CHEMBL2170489)
Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12
Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)
Affinity DataIC50: 65nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485864(CHEMBL2170475)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H32BrN7O3S/c1-14(2)9-17(27)24(34)32-6-3-15(4-7-32)5-8-33-23-21(22(28)29-12-30-23)31-25(33)37-20-11-19-18(10-16(20)26)35-13-36-19/h10-12,14-15,17H,3-9,13,27H2,1-2H3,(H2,28,29,30)/t17-/m0/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485847(CHEMBL2170488)
Show SMILES C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m1/s1
Affinity DataIC50: 69nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485856(CHEMBL2170456)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H21BrN6O3S/c21-13-7-14-15(30-11-29-14)8-16(13)31-20-25-17-18(22)23-9-24-19(17)27(20)6-3-12-1-4-26(10-28)5-2-12/h7-10,12H,1-6,11H2,(H2,22,23,24)
Affinity DataIC50: 70nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485837(CHEMBL2170477)
Show SMILES CN(C)CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H28BrN7O3S/c1-29(2)11-19(32)30-6-3-14(4-7-30)5-8-31-22-20(21(25)26-12-27-22)28-23(31)35-18-10-17-16(9-15(18)24)33-13-34-17/h9-10,12,14H,3-8,11,13H2,1-2H3,(H2,25,26,27)
Affinity DataIC50: 70nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485832(CHEMBL2170487)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1
Affinity DataIC50: 74nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485837(CHEMBL2170477)
Show SMILES CN(C)CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H28BrN7O3S/c1-29(2)11-19(32)30-6-3-14(4-7-30)5-8-31-22-20(21(25)26-12-27-22)28-23(31)35-18-10-17-16(9-15(18)24)33-13-34-17/h9-10,12,14H,3-8,11,13H2,1-2H3,(H2,25,26,27)
Affinity DataIC50: 80nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485828(CHEMBL2170455)
Show SMILES NC(CCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12)C1CC1
Show InChI InChI=1S/C18H19BrN6O2S/c19-10-5-12-13(27-8-26-12)6-14(10)28-18-24-15-16(21)22-7-23-17(15)25(18)4-3-11(20)9-1-2-9/h5-7,9,11H,1-4,8,20H2,(H2,21,22,23)
Affinity DataIC50: 80nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485841(CHEMBL2170465)
Show SMILES CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H23BrN6O3S/c1-12(29)27-5-2-13(3-6-27)4-7-28-20-18(19(23)24-10-25-20)26-21(28)32-17-9-16-15(8-14(17)22)30-11-31-16/h8-10,13H,2-7,11H2,1H3,(H2,23,24,25)
Affinity DataIC50: 90nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485839(CHEMBL2170471)
Show SMILES C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m1/s1
Affinity DataIC50: 90nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485826(CHEMBL2170452)
Show SMILES Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C19H20BrN5O3S/c20-12-7-13-14(28-10-27-13)8-15(12)29-19-24-16-17(21)22-9-23-18(16)25(19)4-1-11-2-5-26-6-3-11/h7-9,11H,1-6,10H2,(H2,21,22,23)
Affinity DataIC50: 90nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485833(CHEMBL2170486)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCCOc4cc3Br)nc12
Show InChI InChI=1S/C22H25BrN6O4S/c23-14-9-15-16(33-8-7-32-15)10-17(14)34-22-27-19-20(24)25-12-26-21(19)29(22)6-3-13-1-4-28(5-2-13)18(31)11-30/h9-10,12-13,30H,1-8,11H2,(H2,24,25,26)
Affinity DataIC50: 90nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485862(CHEMBL2170493)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCOc4cc3Cl)nc12
Show InChI InChI=1S/C20H21ClN6O3S/c21-13-7-14-15(30-11-29-14)8-16(13)31-20-25-17-18(22)23-9-24-19(17)27(20)6-3-12-1-4-26(10-28)5-2-12/h7-10,12H,1-6,11H2,(H2,22,23,24)
Affinity DataIC50: 92nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in HCT116 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in DU145 cells assessed as degradation of Akt incubated for 24 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in HCT116 cells assessed as degradation of Akt incubated for 24 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in DU145 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485825(CHEMBL2170470)
Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in NCI-N87 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485853(CHEMBL2170462)
Show SMILES Nc1ncnc2n(CCC3CCN(CC#C)CC3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C22H23BrN6O2S/c1-2-6-28-7-3-14(4-8-28)5-9-29-21-19(20(24)25-12-26-21)27-22(29)32-18-11-17-16(10-15(18)23)30-13-31-17/h1,10-12,14H,3-9,13H2,(H2,24,25,26)
Affinity DataIC50: 100nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485847(CHEMBL2170488)
Show SMILES C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m1/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485853(CHEMBL2170462)
Show SMILES Nc1ncnc2n(CCC3CCN(CC#C)CC3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C22H23BrN6O2S/c1-2-6-28-7-3-14(4-8-28)5-9-29-21-19(20(24)25-12-26-21)27-22(29)32-18-11-17-16(10-15(18)23)30-13-31-17/h1,10-12,14H,3-9,13H2,(H2,24,25,26)
Affinity DataIC50: 110nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485840(CHEMBL2170467)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)C3CC3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C23H25BrN6O3S/c24-15-9-16-17(33-12-32-16)10-18(15)34-23-28-19-20(25)26-11-27-21(19)30(23)8-5-13-3-6-29(7-4-13)22(31)14-1-2-14/h9-11,13-14H,1-8,12H2,(H2,25,26,27)
Affinity DataIC50: 110nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485851(CHEMBL2170469)
Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN6O4S/c22-13-7-14-15(32-11-31-14)8-16(13)33-21-26-18-19(23)24-10-25-20(18)28(21)6-3-12-1-4-27(5-2-12)17(30)9-29/h7-8,10,12,29H,1-6,9,11H2,(H2,23,24,25)
Affinity DataIC50: 110nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Displayed 1 to 50 (of 91 total ) | Next | Last >>
Jump to: