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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'forster' and Initial = 'pi'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...

J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from kappa opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50233004
PNG
(2-(3-carbamimidamidopropylidene)butanedioic acid |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]\[#6]=[#6](\[#6]-[#6](-[#8])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C8H13N3O4/c9-8(10)11-3-1-2-5(7(14)15)4-6(12)13/h2H,1,3-4H2,(H,12,13)(H,14,15)(H4,9,10,11)/b5-2-
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n/an/a 360n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carboxypeptidase B

Bioorg Med Chem Lett 18: 1495-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.060
BindingDB Entry DOI: 10.7270/Q2GB23T5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316549
PNG
(CHEMBL1097805 | longanine)
Show SMILES CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12O)c1ccc(OC)c(O)c31 |r|
Show InChI InChI=1S/C19H25NO6/c1-20-7-6-17-8-11(21)16(25-3)19(23)18(17,20)9-13(26-19)10-4-5-12(24-2)15(22)14(10)17/h4-5,11,13,16,21-23H,6-9H2,1-3H3/t11-,13-,16-,17-,18-,19+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50216277
PNG
(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Show SMILES COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay

J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50095839
PNG
(CHEMBL3590599)
Show SMILES COc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4?,5?,6-,10+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1 (unknown origin) incubated for 30 mins using 5'-/6-TAMN/AGGATCTAAAAGACTT/3BHQ_2/-3' substrate by microplate reader based assay

J Nat Prod 78: 1756-60 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00211
BindingDB Entry DOI: 10.7270/Q22R3TD8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50095838
PNG
(CHEMBL3590600)
Show SMILES COc1cc(C[C@@H](CO)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r|
Show InChI InChI=1S/C14H18N6O4/c15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-1-3-6/h4-6,8-10,14,21-22H,1-3H2,(H,19,23)(H2,15,16,17)/t8?,9?,10-,14+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1 (unknown origin) incubated for 30 mins using 5'-/6-TAMN/AGGATCTAAAAGACTT/3BHQ_2/-3' substrate by microplate reader based assay

J Nat Prod 78: 1756-60 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00211
BindingDB Entry DOI: 10.7270/Q22R3TD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50269337
PNG
(CHEMBL497516 | Grandisine F)
Show SMILES C[C@H]1C[C@H](N)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
Show InChI InChI=1S/C16H24N2O2/c1-9-7-10(17)8-13-14(9)16(19)15-11-3-2-5-18(11)6-4-12(15)20-13/h9-12,15H,2-8,17H2,1H3/t9-,10-,11-,12+,15-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50269336
PNG
(grandisine D)
Show SMILES C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCC[NH+]2CCC[C@@H]12 |r,c:3,t:11|
Show InChI InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/p+1/t11-,13-,15+/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316551
PNG
(CHEMBL1096481 | N-methylstephuline)
Show SMILES CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31 |r|
Show InChI InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(25-3)20(26-4)19(18,21)10-14(27-20)11-5-6-13(24-2)16(23)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3/t12-,14-,17-,18-,19-,20+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316546
PNG
(CHEMBL1097077 | N-methylstephisoferulin)
Show SMILES COc1ccc2[C@@H]3C[C@]45N(C)CC[C@]4(C[C@H](OC(=O)\C=C\c4ccccc4)[C@H](O)[C@@]5(OC)O3)c2c1O |r|
Show InChI InChI=1S/C28H31NO7/c1-29-14-13-26-15-21(35-22(30)12-9-17-7-5-4-6-8-17)25(32)28(34-3)27(26,29)16-20(36-28)18-10-11-19(33-2)24(31)23(18)26/h4-12,20-21,25,31-32H,13-16H2,1-3H3/b12-9+/t20-,21-,25-,26-,27-,28+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316547
PNG
(6-cinnamoylhernandine | CHEMBL1097804)
Show SMILES CO[C@H]1[C@H](C[C@]23CC(=O)N(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H31NO8/c1-30-22(31)16-27-14-21(37-23(32)13-10-17-8-6-5-7-9-17)26(35-3)29(36-4)28(27,30)15-20(38-29)18-11-12-19(34-2)25(33)24(18)27/h5-13,20-21,26,33H,14-16H2,1-4H3/b13-10+/t20-,21-,26-,27+,28-,29+/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316552
PNG
(CHEMBL1096482 | prostephabyssine)
Show SMILES COC1=CC[C@]23CCN(C)[C@@]22C[C@H](O[C@@]12O)c1ccc(OC)c(O)c31 |r,t:2|
Show InChI InChI=1S/C19H23NO5/c1-20-9-8-17-7-6-14(24-3)19(22)18(17,20)10-13(25-19)11-4-5-12(23-2)16(21)15(11)17/h4-6,13,21-22H,7-10H2,1-3H3/t13-,17+,18-,19-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50269357
PNG
((-)-isoelaeocarpiline | CHEMBL521711)
Show SMILES C[C@H]1CC=CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:3,5|
Show InChI InChI=1S/C16H21NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,6,10-11,13,15H,3-5,7-9H2,1H3/t10-,11-,13+,15-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316545
PNG
(6-cinnamoyl-N-methylstephasunoline | CHEMBL1098354)
Show SMILES CO[C@H]1[C@H](C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccc(OC)c(O)c1 |r|
Show InChI InChI=1S/C30H35NO9/c1-31-13-12-28-15-23(39-24(33)11-7-17-6-9-20(35-2)19(32)14-17)27(37-4)30(38-5)29(28,31)16-22(40-30)18-8-10-21(36-3)26(34)25(18)28/h6-11,14,22-23,27,32,34H,12-13,15-16H2,1-5H3/b11-7+/t22-,23-,27-,28-,29-,30+/m0/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50228176
PNG
(peripentadenine)
Show SMILES CCCCCC(=O)NCCC[NH+]1CCCC1CC(=O)c1c(C)cccc1O
Show InChI InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)/p+1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50216279
PNG
(CHEMBL388363 | di-O-methylendiandrin A)
Show SMILES COc1ccc(cc1OC)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H28O4/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay

J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50269339
PNG
(CHEMBL509995 | Grandisine C)
Show SMILES C[C@H]1C[C@H](O)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
Show InChI InChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316550
PNG
(CHEMBL1097185 | aknadilactam)
Show SMILES COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CC(=O)N3C)CC1=O |r,c:2|
Show InChI InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50261174
PNG
(CHEMBL496930 | corymbone B)
Show SMILES CC(C)CC(C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C)c(O)c(C(=O)CCc2ccccc2)c1O
Show InChI InChI=1S/C31H38O7/c1-16(2)15-19(22-27(36)30(4,5)29(38)31(6,7)28(22)37)21-24(33)17(3)25(34)23(26(21)35)20(32)14-13-18-11-9-8-10-12-18/h8-12,16,19,22,33-35H,13-15H2,1-7H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells

J Nat Prod 71: 881-3 (2008)


Article DOI: 10.1021/np0706567
BindingDB Entry DOI: 10.7270/Q2ZK5GFP
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r|
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells

J Nat Prod 71: 881-3 (2008)


Article DOI: 10.1021/np0706567
BindingDB Entry DOI: 10.7270/Q2ZK5GFP
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50261685
PNG
(CHEMBL447346 | corymbone A)
Show SMILES Cc1c(O)c(C(CCc2ccccc2)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CCc2ccccc2)c1O
Show InChI InChI=1S/C35H38O7/c1-20-28(37)25(30(39)27(29(20)38)24(36)19-17-22-14-10-7-11-15-22)23(18-16-21-12-8-6-9-13-21)26-31(40)34(2,3)33(42)35(4,5)32(26)41/h6-15,23,26,37-39H,16-19H2,1-5H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells

J Nat Prod 71: 881-3 (2008)


Article DOI: 10.1021/np0706567
BindingDB Entry DOI: 10.7270/Q2ZK5GFP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50216278
PNG
(CHEMBL228326 | nectandrin B)
Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay

J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50228177
PNG
(peripentonine C)
Show SMILES CCCCCC(=O)NCCC[NH+]1CCC[C@H]1CC(O)=O |w:11.10|
Show InChI InChI=1S/C15H28N2O3/c1-2-3-4-8-14(18)16-9-6-11-17-10-5-7-13(17)12-15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20)/p+1/t13-/m0/s1
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n/an/a 3.09E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50216280
PNG
(CHEMBL228655 | di-O-acetylendiandrin A)
Show SMILES COc1cc(ccc1OC(C)=O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/C24H28O6/c1-13-14(2)24(18-8-10-20(30-16(4)26)22(12-18)28-6)23(13)17-7-9-19(29-15(3)25)21(11-17)27-5/h7-14,23-24H,1-6H3/t13-,14-,23-,24-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay

J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50216276
PNG
((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...)
Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay

J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50260779
PNG
(CHEMBL524026 | sinococuline)
Show SMILES COC1=C2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3)C[C@H](O)[C@@H]1O |r,c:2|
Show InChI InChI=1S/C18H23NO5/c1-23-12-4-3-9-7-10-14-17(24-2)15(21)11(20)8-18(14,5-6-19-10)13(9)16(12)22/h3-4,10-11,15,19-22H,5-8H2,1-2H3/t10-,11-,15-,18-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50316548
PNG
(CHEMBL1098359 | aknadinine)
Show SMILES COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,c:2|
Show InChI InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane

J Nat Prod 73: 988-91 (2010)


Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50269338
PNG
(Grandisine G)
Show SMILES COC(=O)C[C@@H]1C[C@H](C)CC(=N1)C1=CCC[NH+]2CCCC12 |r,c:10,t:13|
Show InChI InChI=1S/C17H26N2O2/c1-12-9-13(11-17(20)21-2)18-15(10-12)14-5-3-7-19-8-4-6-16(14)19/h5,12-13,16H,3-4,6-11H2,1-2H3/p+1/t12-,13-,16?/m0/s1
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n/an/a 7.54E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells

J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...

J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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KEGG

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MCE
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n/an/a 9.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...

J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair