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29 similar compounds to monomer 50414649

Compile data set for download or QSAR
Wt: 292.4
BDBM17637
Wt: 320.5
BDBM26270
Wt: 292.4
BDBM50093445
Purchase
Wt: 388.6
BDBM50153107
Wt: 480.7
BDBM50176467
Wt: 318.4
BDBM50211103
Wt: 492.7
BDBM50241902
Wt: 378.5
BDBM50375552
Purchase
Wt: 292.4
BDBM50375558
Purchase
Wt: 394.5
BDBM50375567
Wt: 276.4
BDBM50410511
Purchase
Wt: 276.4
BDBM50410518
Purchase
Wt: 292.4
BDBM50410527
Purchase
Wt: 404.6
BDBM50414650
Wt: 436.6
BDBM50414654
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 17637,26270,50093445,50153107,50176467,50211103,50241902,50375552,50375558,50375567,50410511,50410518,50410527,50414650,50414654   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50241902
PNG
(CHEMBL486198 | Gorgost-5-ene-3beta,9alpha,11alpha-...)
Show SMILES CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C
Show InChI InChI=1S/C30H52O5/c1-16(2)18(4)26(5)14-23(26)17(3)20-8-9-21-22-12-24(32)29(34)13-19(31)10-11-28(29,7)30(22,35)25(33)15-27(20,21)6/h16-25,31-35H,8-15H2,1-7H3/t17-,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


J Nat Prod 68: 1247-52 (2005)


Article DOI: 10.1021/np050182g
BindingDB Entry DOI: 10.7270/Q2GH9HQ5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50211103
PNG
((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


Bioorg Med Chem Lett 17: 2944-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.053
BindingDB Entry DOI: 10.7270/Q2D50NS7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50211103
PNG
((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/an/an/a 219n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant ERbeta expressed in HEK293 cells by transactivation assay


Bioorg Med Chem Lett 17: 2944-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.053
BindingDB Entry DOI: 10.7270/Q2D50NS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50211103
PNG
((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 4.99E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 17: 2944-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.053
BindingDB Entry DOI: 10.7270/Q2D50NS7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50211103
PNG
((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 322n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 17: 2944-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.053
BindingDB Entry DOI: 10.7270/Q2D50NS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50211103
PNG
((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assay


Bioorg Med Chem Lett 17: 2944-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.053
BindingDB Entry DOI: 10.7270/Q2D50NS7
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens (Human))
BDBM50093445
PNG
((3alpha,5alpha,17beta)-androstane-3,17-diol | 3alp...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/a 0.776n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50375552
PNG
(CHEMBL270287)
Show SMILES C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human FXR expressed in COS1 cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375558
PNG
(ETIOCHOLANDIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
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n/an/an/an/a 2.44E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM26270
PNG
((1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyet...)
Show SMILES C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 850n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375567
PNG
(CHEMBL270703)
Show SMILES C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
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n/an/an/an/a 870n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375552
PNG
(CHEMBL270287)
Show SMILES C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50093445
PNG
((3alpha,5alpha,17beta)-androstane-3,17-diol | 3alp...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 7.01E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414650
PNG
(CHEMBL550600)
Show SMILES CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C
Show InChI InChI=1S/C27H48O2/c1-18(2)9-14-24(28)27(5,29)23-13-12-21-20-11-10-19-8-6-7-16-25(19,3)22(20)15-17-26(21,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-/m0/s1
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n/an/a>2.45E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414654
PNG
(CHEMBL560139)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H48O4/c1-16(2)6-9-24(30)27(5,31)23-8-7-19-18-15-22(29)21-14-17(28)10-12-25(21,3)20(18)11-13-26(19,23)4/h16-24,28-31H,6-15H2,1-5H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1
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n/an/a>2.45E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50410511
PNG
(CHEMBL198053)
Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
Show InChI InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50410518
PNG
(CHEMBL371356)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H32O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
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n/an/a 11.0n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50410527
PNG
(CHEMBL194858)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2O
Show InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17?,18-,19-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50093445
PNG
((3alpha,5alpha,17beta)-androstane-3,17-diol | 3alp...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153107
PNG
((3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153107
PNG
((3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair