Compile Data Set for Download or QSAR
Found 41 Enz. Inhib. hit(s) with all data for entry = 50033568
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347503(RADICICOL)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m1/s1
Affinity DataIC50: 16nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
Affinity DataIC50: 19nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1
Affinity DataIC50: 20nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347494(CHEMBL1801577 | hsp90_41)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C20H16ClN3O5S/c21-14-9-17(19(26)10-18(14)25)24-16-7-6-12(8-15(16)23-20(24)27)11-22-30(28,29)13-4-2-1-3-5-13/h1-10,22,25-26H,11H2,(H,23,27)
Affinity DataIC50: 27nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347495(CHEMBL1801578 | hsp90_39)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataIC50: 30nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347506(CHEMBL1801575)
Show SMILES CCNC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H17ClN4O4/c1-2-19-16(25)20-8-9-3-4-12-11(5-9)21-17(26)22(12)13-6-10(18)14(23)7-15(13)24/h3-7,23-24H,2,8H2,1H3,(H,21,26)(H2,19,20,25)
Affinity DataIC50: 33nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347504(CHEMBL1801572)
Show SMILES CC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H14ClN3O4/c1-8(21)18-7-9-2-3-12-11(4-9)19-16(24)20(12)13-5-10(17)14(22)6-15(13)23/h2-6,22-23H,7H2,1H3,(H,18,21)(H,19,24)
Affinity DataIC50: 40nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347496(CHEMBL1801579)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-18-11-21(23(30)12-22(18)29)28-20-8-5-14(9-19(20)27-24(28)31)13-26-34(32,33)17-7-6-15-3-1-2-4-16(15)10-17/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataIC50: 47nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347492(CHEMBL1801574)
Show SMILES CS(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H14ClN3O5S/c1-25(23,24)17-7-8-2-3-11-10(4-8)18-15(22)19(11)12-5-9(16)13(20)6-14(12)21/h2-6,17,20-21H,7H2,1H3,(H,18,22)
Affinity DataIC50: 50nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347501(CHEMBL1802337)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H9ClN2O3/c14-7-5-10(12(18)6-11(7)17)16-9-4-2-1-3-8(9)15-13(16)19/h1-6,17-18H,(H,15,19)
Affinity DataIC50: 54nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347493(CHEMBL1801576 | hsp90_33)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C21H17ClN4O4/c22-14-9-17(19(28)10-18(14)27)26-16-7-6-12(8-15(16)25-21(26)30)11-23-20(29)24-13-4-2-1-3-5-13/h1-10,27-28H,11H2,(H,25,30)(H2,23,24,29)
Affinity DataIC50: 60nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347505(CHEMBL1801573 | hsp90_31)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)c3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C21H16ClN3O4/c22-14-9-17(19(27)10-18(14)26)25-16-7-6-12(8-15(16)24-21(25)29)11-23-20(28)13-4-2-1-3-5-13/h1-10,26-27H,11H2,(H,23,28)(H,24,29)
Affinity DataIC50: 72nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347499(CHEMBL1802335 | hsp90_4)
Show SMILES Oc1ccc(c(O)c1)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
Affinity DataIC50: 220nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347503(RADICICOL)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m1/s1
Affinity DataIC50: 530nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347495(CHEMBL1801578 | hsp90_39)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataIC50: 550nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
Affinity DataIC50: 880nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347496(CHEMBL1801579)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-18-11-21(23(30)12-22(18)29)28-20-8-5-14(9-19(20)27-24(28)31)13-26-34(32,33)17-7-6-15-3-1-2-4-16(15)10-17/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataIC50: 1.14E+3nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347498(CHEMBL1802334 | hsp90_2)
Show SMILES Oc1ccc(cc1-n1c2ccccc2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-5-6-12(20)11(7-8)19-10-4-2-1-3-9(10)18-13(19)21/h1-7,20H,(H,18,21)
Affinity DataIC50: 2.32E+3nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347502(CHEMBL1802338)
Show SMILES Oc1cc(c(O)cc1Cl)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H9ClN2O3/c14-7-5-12(18)10(6-11(7)17)16-9-4-2-1-3-8(9)15-13(16)19/h1-6,17-18H,(H,15,19)
Affinity DataIC50: 2.53E+3nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347497(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
Affinity DataIC50: 3.32E+3nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347494(CHEMBL1801577 | hsp90_41)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C20H16ClN3O5S/c21-14-9-17(19(26)10-18(14)25)24-16-7-6-12(8-15(16)23-20(24)27)11-22-30(28,29)13-4-2-1-3-5-13/h1-10,22,25-26H,11H2,(H,23,27)
Affinity DataIC50: 3.42E+3nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347506(CHEMBL1801575)
Show SMILES CCNC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H17ClN4O4/c1-2-19-16(25)20-8-9-3-4-12-11(5-9)21-17(26)22(12)13-6-10(18)14(23)7-15(13)24/h3-7,23-24H,2,8H2,1H3,(H,21,26)(H2,19,20,25)
Affinity DataIC50: 1.42E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347501(CHEMBL1802337)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H9ClN2O3/c14-7-5-10(12(18)6-11(7)17)16-9-4-2-1-3-8(9)15-13(16)19/h1-6,17-18H,(H,15,19)
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347493(CHEMBL1801576 | hsp90_33)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C21H17ClN4O4/c22-14-9-17(19(28)10-18(14)27)26-16-7-6-12(8-15(16)25-21(26)30)11-23-20(29)24-13-4-2-1-3-5-13/h1-10,27-28H,11H2,(H,25,30)(H2,23,24,29)
Affinity DataIC50: 1.54E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347505(CHEMBL1801573 | hsp90_31)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)c3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C21H16ClN3O4/c22-14-9-17(19(27)10-18(14)26)25-16-7-6-12(8-15(16)24-21(25)29)11-23-20(28)13-4-2-1-3-5-13/h1-10,26-27H,11H2,(H,23,28)(H,24,29)
Affinity DataIC50: 2.29E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347504(CHEMBL1801572)
Show SMILES CC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H14ClN3O4/c1-8(21)18-7-9-2-3-12-11(4-9)19-16(24)20(12)13-5-10(17)14(22)6-15(13)23/h2-6,22-23H,7H2,1H3,(H,18,21)(H,19,24)
Affinity DataIC50: 2.48E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347492(CHEMBL1801574)
Show SMILES CS(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H14ClN3O5S/c1-25(23,24)17-7-8-2-3-11-10(4-8)18-15(22)19(11)12-5-9(16)13(20)6-14(12)21/h2-6,17,20-21H,7H2,1H3,(H,18,22)
Affinity DataIC50: 2.52E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347500(CHEMBL1802336 | hsp90_5)
Show SMILES Oc1ccc(O)c(c1)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H10N2O3/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
Affinity DataIC50: 3.49E+4nMAssay Description:Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347497(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
Affinity DataIC50: 8.10E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347499(CHEMBL1802335 | hsp90_4)
Show SMILES Oc1ccc(c(O)c1)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347498(CHEMBL1802334 | hsp90_2)
Show SMILES Oc1ccc(cc1-n1c2ccccc2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-5-6-12(20)11(7-8)19-10-4-2-1-3-9(10)18-13(19)21/h1-7,20H,(H,18,21)
Affinity DataIC50: 1.27E+5nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347500(CHEMBL1802336 | hsp90_5)
Show SMILES Oc1ccc(O)c(c1)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H10N2O3/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347502(CHEMBL1802338)
Show SMILES Oc1cc(c(O)cc1Cl)-n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H9ClN2O3/c14-7-5-12(18)10(6-11(7)17)16-9-4-2-1-3-8(9)15-13(16)19/h1-6,17-18H,(H,15,19)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
Affinity DataEC50:  500nMAssay Description:Inhibition of Hsp90alpha in human SKBR3 cells assessed as up-regulation of HSP70 protein by Western blot analysisMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347495(CHEMBL1801578 | hsp90_39)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataEC50:  190nMAssay Description:Inhibition of Hsp90alpha in human H1299 cells assessed as HIF-1alpha degradation by luciferase reporter assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1
Affinity DataEC50:  120nMAssay Description:Inhibition of Hsp90alpha in human H1299 cells assessed as HIF-1alpha degradation by luciferase reporter assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
Affinity DataEC50:  210nMAssay Description:Inhibition of Hsp90alpha in human H1299 cells assessed as HIF-1alpha degradation by luciferase reporter assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
Affinity DataEC50:  350nMAssay Description:Inhibition of Hsp90alpha in human SKBR3 cells assessed as ErbB2 degradation by Western blot analysisMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1
Affinity DataEC50:  60nMAssay Description:Inhibition of Hsp90alpha in human SKBR3 cells assessed as up-regulation of HSP70 protein by Western blot analysisMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50347495(CHEMBL1801578 | hsp90_39)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O
Show InChI InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
Affinity DataEC50:  60nMAssay Description:Inhibition of Hsp90alpha in human SKBR3 cells assessed as up-regulation of HSP70 protein by Western blot analysisMore data for this Ligand-Target Pair