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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'tichy' and Initial = 'hv'   
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
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476098
PNG
(Cinnabaramide G)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](CCCCCC)[C@]1(C)O)C(=O)SC[C@H](NC(C)=O)C(=O)OC |c:5|
Show InChI InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)/t17-,18+,19+,20+,24+,25+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476095
PNG
(CINNABARAMIDE A)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@@]12NC(=O)[C@H](CCCCCC)[C@]1(C)OC2=O |c:5|
Show InChI InChI=1S/C19H29NO4/c1-3-4-5-9-12-14-16(22)20-19(17(23)24-18(14,19)2)15(21)13-10-7-6-8-11-13/h7,10,13-15,21H,3-6,8-9,11-12H2,1-2H3,(H,20,22)/t13-,14+,15+,18+,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476097
PNG
(Cinnabaramide F)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](CCCCCC)[C@]1(C)O)C(=O)SC[C@H](NC(C)=O)C(O)=O |c:5|
Show InChI InChI=1S/C24H38N2O7S/c1-4-5-6-10-13-17-20(29)26-24(23(17,3)33,19(28)16-11-8-7-9-12-16)22(32)34-14-18(21(30)31)25-15(2)27/h8,11,16-19,28,33H,4-7,9-10,12-14H2,1-3H3,(H,25,27)(H,26,29)(H,30,31)/t16-,17+,18+,19+,23+,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476096
PNG
(Cinnabaramide C)
Show SMILES [H][C@]1(C[C@@]23NC(=O)[C@H](CCCCCC)[C@]2(C)OC3=O)CCCC=C1 |c:24|
Show InChI InChI=1S/C19H29NO3/c1-3-4-5-9-12-15-16(21)20-19(17(22)23-18(15,19)2)13-14-10-7-6-8-11-14/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,20,21)/t14-,15+,18+,19+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476094
PNG
(Cinnabaramide D)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](C(O)CCCCC)[C@]1(C)O)C(O)=O |c:5|
Show InChI InChI=1S/C19H31NO6/c1-3-4-6-11-13(21)14-16(23)20-19(17(24)25,18(14,2)26)15(22)12-9-7-5-8-10-12/h7,9,12-15,21-22,26H,3-6,8,10-11H2,1-2H3,(H,20,23)(H,24,25)/t12-,13?,14+,15+,18+,19+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476093
PNG
(Cinnabaramide E)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](CCCCCC)[C@]1(C)O)C(O)=O |c:5|
Show InChI InChI=1S/C19H31NO5/c1-3-4-5-9-12-14-16(22)20-19(17(23)24,18(14,2)25)15(21)13-10-7-6-8-11-13/h7,10,13-15,21,25H,3-6,8-9,11-12H2,1-2H3,(H,20,22)(H,23,24)/t13-,14+,15+,18+,19+/m1/s1
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n/an/a 136n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476099
PNG
(CINNABARAMIDE B)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@@]12NC(=O)[C@H](C(O)CCCCC)[C@]1(C)OC2=O |c:5|
Show InChI InChI=1S/C19H29NO5/c1-3-4-6-11-13(21)14-16(23)20-19(17(24)25-18(14,19)2)15(22)12-9-7-5-8-10-12/h7,9,12-15,21-22H,3-6,8,10-11H2,1-2H3,(H,20,23)/t12-,13?,14+,15+,18+,19+/m1/s1
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n/an/a 245n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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n/an/a 259n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50250268
PNG
(CHEMBL491510 | beta-zearalanol)
Show SMILES C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 |r|
Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Bayer Health Care

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) by fluorescence polarization assay


J Nat Prod 66: 829-37 (2003)


Article DOI: 10.1021/np020556v
BindingDB Entry DOI: 10.7270/Q24F1QH4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM32073
PNG
((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Show SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Bayer Health Care

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) by fluorescence polarization assay


J Nat Prod 66: 829-37 (2003)


Article DOI: 10.1021/np020556v
BindingDB Entry DOI: 10.7270/Q24F1QH4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM32019
PNG
((11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[...)
Show SMILES C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Bayer Health Care

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) by fluorescence polarization assay


J Nat Prod 66: 829-37 (2003)


Article DOI: 10.1021/np020556v
BindingDB Entry DOI: 10.7270/Q24F1QH4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50247676
PNG
(CHEMBL454173 | zearalenone)
Show SMILES C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:10|
Show InChI InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bayer Health Care

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) by fluorescence polarization assay


J Nat Prod 66: 829-37 (2003)


Article DOI: 10.1021/np020556v
BindingDB Entry DOI: 10.7270/Q24F1QH4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50250613
PNG
(13-beta-hydroxyestradiol | CHEMBL499812 | Estradio...)
Show SMILES O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12O |r|
Show InChI InChI=1S/C17H22O3/c18-11-2-4-12-10(9-11)1-3-14-13(12)7-8-17(20)15(14)5-6-16(17)19/h2,4,9,13-16,18-20H,1,3,5-8H2/t13-,14-,15+,16+,17-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Bayer Health Care

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) by fluorescence polarization assay


J Nat Prod 66: 829-37 (2003)


Article DOI: 10.1021/np020556v
BindingDB Entry DOI: 10.7270/Q24F1QH4
More data for this
Ligand-Target Pair