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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'rabe' and Initial = 'dc'   
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))
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
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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
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))
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))
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