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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'gardella' and Initial = 'rs'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50340946
PNG
((1R,3S,14S)-6,10,14-trimethyl-3-(prop-1-en-2-yl)-1...)
Show SMILES CC(=C)[C@H]1C[C@H]2O[C@@]2(C)CCC=C(C)CCC=C(C)C(=O)C1 |r,w:16.16|
Show InChI InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10?/t17-,19-,20+/m1/s1
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n/an/an/an/a 1.08E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50398331
PNG
(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
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n/an/an/an/a>1.00E+5n/an/an/an/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))
BDBM50340948
PNG
((1E,3E,7R*,8R*,11E)-1-(2-methoxypropan-2-yl)-4,8,1...)
Show SMILES COC(C)(C)C1=C/C=C(C)/CC[C@H]2O[C@@]2(C)CC\C=C(C)\CC\1 |r,c:7,19,t:5|
Show InChI InChI=1S/C21H34O2/c1-16-8-7-15-21(5)19(23-21)14-11-17(2)10-13-18(12-9-16)20(3,4)22-6/h8,10,13,19H,7,9,11-12,14-15H2,1-6H3/b16-8+,17-10+,18-13+/t19-,21+/m1/s1
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n/an/an/an/a 1.49E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50340949
PNG
((1R,2S)-1-((1R,4aS,11aR)-1-acetoxy-7-methyl-11-met...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-2=[#6] |r,c:28,t:14|
Show InChI InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9-/t21-,23+,24+,25-,26-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50340950
PNG
((1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]\[#6](-[#6])=[#6]/[#6@H](-[#8])-[#6]-[#6]-2=[#6] |r,c:28,t:14|
Show InChI InChI=1S/C26H36O8/c1-14(2)10-23(32-17(5)27)25(33-18(6)28)22-13-31-26(34-19(7)29)24-16(4)12-20(30)11-15(3)8-9-21(22)24/h10-11,13,20-21,23-26,30H,4,8-9,12H2,1-3,5-7H3/b15-11-/t20-,21+,23-,24-,25+,26+/m0/s1
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n/an/an/an/a 6.20E+3n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50340951
PNG
((1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperox...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]-[#6](=[#6])-[#6@H](-[#6]-[#6]-[#6]-2=[#6])-[#8]-[#8] |r,t:14|
Show InChI InChI=1S/C26H36O9/c1-14(2)12-23(32-17(5)27)25(33-18(6)28)21-13-31-26(34-19(7)29)24-16(4)9-11-22(35-30)15(3)8-10-20(21)24/h12-13,20,22-26,30H,3-4,8-11H2,1-2,5-7H3/t20-,22+,23+,24+,25-,26-/m1/s1
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n/an/an/an/a 1.18E+4n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50356012
PNG
(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
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n/an/an/an/a>1.00E+5n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.20E+3n/an/an/an/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
PNG
(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
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n/an/an/an/a>1.00E+5n/an/an/an/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
PNG
(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
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n/an/an/an/a 4.20E+3n/an/an/an/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
PNG
(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
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n/an/an/an/a 8.70E+3n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.48E+4n/an/an/an/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
PNG
(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)
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n/an/an/an/a 700n/an/an/an/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
PNG
((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
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n/an/an/an/a 3.30E+3n/an/an/an/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
PNG
(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-
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n/an/an/an/a 2.70E+3n/an/an/an/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
PNG
(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?
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n/an/an/an/a>1.00E+5n/an/an/an/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
PNG
(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
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/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))
BDBM50340947
PNG
((6R,8S,18R)-3,8,12,16-Tetramethyl-7,18-dioxa-tricy...)
Show SMILES CC1=C2CC\C(C)=C\CC[C@]3(C)O[C@@H]3CC\C(C)=C\[C@H]2OC1 |r,c:1,t:6,18|
Show InChI InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.83E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair