Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) with all data for entry = 50031076
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306574(2-(4-Adamantan-1-yl-phenoxy)-N-[2-hydroxy-5-(4,4,5...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C30H38BNO5/c1-28(2)29(3,4)37-31(36-28)23-7-10-26(33)25(14-23)32-27(34)18-35-24-8-5-22(6-9-24)30-15-19-11-20(16-30)13-21(12-19)17-30/h5-10,14,19-21,33H,11-13,15-18H2,1-4H3,(H,32,34)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50206624(3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hyd...)
Show SMILES OC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C25H27NO5/c27-22-6-1-18(24(29)30)10-21(22)26-23(28)14-31-20-4-2-19(3-5-20)25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17,27H,7-9,11-14H2,(H,26,28)(H,29,30)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306575((3-{2-[4-(adamantan-1-yl)phenoxy]acetamido}-4-hydr...)
Show SMILES OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C24H28BNO5/c27-22-6-3-19(25(29)30)10-21(22)26-23(28)14-31-20-4-1-18(2-5-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,27,29-30H,7-9,11-14H2,(H,26,28)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306568(2-(4-tert-butylphenoxy)-N-(2-hydroxy-5-(4,4,5,5-te...)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
Show InChI InChI=1S/C24H32BNO5/c1-22(2,3)16-8-11-18(12-9-16)29-15-21(28)26-19-14-17(10-13-20(19)27)25-30-23(4,5)24(6,7)31-25/h8-14,27H,15H2,1-7H3,(H,26,28)
Affinity DataIC50: 3.53E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306573(3-(2-(4-tert-butylphenoxy)acetamido)-4-hydroxyphen...)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
Show InChI InChI=1S/C18H22BNO5/c1-18(2,3)12-4-7-14(8-5-12)25-11-17(22)20-15-10-13(19(23)24)6-9-16(15)21/h4-10,21,23-24H,11H2,1-3H3,(H,20,22)
Affinity DataIC50: 4.03E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306567(2-(4-cyclohexylphenoxy)-N-(2-hydroxy-5-(4,4,5,5-te...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)C2CCCCC2)c1
Show InChI InChI=1S/C26H34BNO5/c1-25(2)26(3,4)33-27(32-25)20-12-15-23(29)22(16-20)28-24(30)17-31-21-13-10-19(11-14-21)18-8-6-5-7-9-18/h10-16,18,29H,5-9,17H2,1-4H3,(H,28,30)
Affinity DataIC50: 7.04E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306572(3-(2-(4-cyclohexylphenoxy)acetamido)-4-hydroxyphen...)
Show SMILES OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C2CCCCC2)c1
Show InChI InChI=1S/C20H24BNO5/c23-19-11-8-16(21(25)26)12-18(19)22-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14,23,25-26H,1-5,13H2,(H,22,24)
Affinity DataIC50: 8.48E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306564(CHEMBL603103 | N-(2-hydroxy-5-(4,4,5,5-tetramethyl...)
Show SMILES Cc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
Show InChI InChI=1S/C21H26BNO5/c1-14-6-9-16(10-7-14)26-13-19(25)23-17-12-15(8-11-18(17)24)22-27-20(2,3)21(4,5)28-22/h6-12,24H,13H2,1-5H3,(H,23,25)
Affinity DataIC50: 9.06E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306565(2-(4-ethylphenoxy)-N-(2-hydroxy-5-(4,4,5,5-tetrame...)
Show SMILES CCc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
Show InChI InChI=1S/C22H28BNO5/c1-6-15-7-10-17(11-8-15)27-14-20(26)24-18-13-16(9-12-19(18)25)23-28-21(2,3)22(4,5)29-23/h7-13,25H,6,14H2,1-5H3,(H,24,26)
Affinity DataIC50: 9.18E+4nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306571(3-(2-(biphenyl-4-yloxy)acetamido)-4-hydroxyphenylb...)
Show SMILES OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C20H18BNO5/c23-19-11-8-16(21(25)26)12-18(19)22-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12,23,25-26H,13H2,(H,22,24)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306569(4-hydroxy-3-(2-(p-tolyloxy)acetamido)phenylboronic...)
Show SMILES Cc1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
Show InChI InChI=1S/C15H16BNO5/c1-10-2-5-12(6-3-10)22-9-15(19)17-13-8-11(16(20)21)4-7-14(13)18/h2-8,18,20-21H,9H2,1H3,(H,17,19)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306566(2-(biphenyl-4-yloxy)-N-(2-hydroxy-5-(4,4,5,5-tetra...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C26H28BNO5/c1-25(2)26(3,4)33-27(32-25)20-12-15-23(29)22(16-20)28-24(30)17-31-21-13-10-19(11-14-21)18-8-6-5-7-9-18/h5-16,29H,17H2,1-4H3,(H,28,30)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Gakushuin University

Curated by ChEMBL
LigandPNGBDBM50306570(3-(2-(4-ethylphenoxy)acetamido)-4-hydroxyphenylbor...)
Show SMILES CCc1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
Show InChI InChI=1S/C16H18BNO5/c1-2-11-3-6-13(7-4-11)23-10-16(20)18-14-9-12(17(21)22)5-8-15(14)19/h3-9,19,21-22H,2,10H2,1H3,(H,18,20)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assayMore data for this Ligand-Target Pair