Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50040683   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398322 (HETERONEMIN) Show SMILES CC(=O)O[C@@H]1OC=C2[C@H]1[C@@]1(C)[C@H](O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H]2OC(C)=O |r,c:6| Show InChI InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398323 (CHEMBL508487) Show SMILES CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]([C@@H]4C(=O)O[C@H](C[C@H]21)[C@@]34C)C(C)=O |r| Show InChI InChI=1S/C28H42O6/c1-15(29)22-17(31)12-19-26(5)11-8-18-25(3,4)9-7-10-28(18,14-33-16(2)30)20(26)13-21-27(19,6)23(22)24(32)34-21/h17-23,31H,7-14H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,26-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398324 (CHEMBL510804) Show SMILES CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C=O)[C@@H]2CC=C([C@H](C=O)[C@@]12C)C(C)=O |r,c:25| Show InChI InChI=1S/C28H40O5/c1-17(31)19-8-9-22-26(5)13-10-21-25(3,4)11-7-12-28(21,16-30)23(26)14-24(33-18(2)32)27(22,6)20(19)15-29/h8,15-16,20-24H,7,9-14H2,1-6H3/t20-,21-,22-,23-,24-,26-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398325 (CHEMBL2177350) Show SMILES O[C@H](\C=C\CCCCCCCCCCCCC\C=C/CCCC\C=C/CC\C=C\C#C[C@@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C |r| Show InChI InChI=1S/C46H68O3/c1-3-44(47)40-36-32-28-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46(49)43-39-35-31-27-26-29-33-37-41-45(48)4-2/h1-2,7,9,19,21,30,34,36-37,40-41,44-49H,5-6,8,10-18,20,22-29,31-33,35H2/b9-7-,21-19-,34-30+,40-36+,41-37+/t44-,45+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398331 (MIMOSAMYCIN) Show SMILES COC1=C(C)C(=O)c2cc(=O)n(C)c(C)c2C1=O |c:2| Show InChI InChI=1S/C13H13NO4/c1-6-11(16)8-5-9(15)14(3)7(2)10(8)12(17)13(6)18-4/h5H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398327 (VARIOLIN B) Show SMILES Nc1nccc(n1)-c1c2ccnc(N)n2c2nccc(O)c12 Show InChI InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398328 (CHEMBL2177348) Show SMILES COC1=C(C)C(=O)C2=C(C(COC(=O)C(\C)=C/C)N(C=O)C=C2)C1=O |c:2,21,t:7| Show InChI InChI=1S/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398329 (CHEMBL2177347) Show SMILES C\C=C(\C)C(=O)OC=c1[nH]ccc2c1c(O)c(O)c(=C)c2=O |w:7.6| Show InChI InChI=1S/C16H15NO5/c1-4-8(2)16(21)22-7-11-12-10(5-6-17-11)13(18)9(3)14(19)15(12)20/h4-7,17,19-20H,3H2,1-2H3/b8-4-,11-7?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398330 (XESTOQUINONE) Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,c:19| Show InChI InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398326 (CHEMBL2177349) Show SMILES C1[C@@H]2CCCC[C@H]2[C@@H]2\C=C\C=C\[C@@H]3[C@H](C[C@@H]4CCCC[C@@H]34)NCCCN[C@H]12 |r,t:9,11| Show InChI InChI=1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair