Found 29 hits for monomerid = 50214969 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
(Francisella tularensis) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Brookhaven National Laboratory
| Assay Description The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ... |
Biochemistry 55: 1091-9 (2016)
Article DOI: 10.1021/acs.biochem.5b00832 BindingDB Entry DOI: 10.7270/Q2CN72P1 |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175]
(Yersinia pestis) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Brookhaven National Laboratory
| Assay Description The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ... |
Biochemistry 55: 1091-9 (2016)
Article DOI: 10.1021/acs.biochem.5b00832 BindingDB Entry DOI: 10.7270/Q2CN72P1 |
More data for this Ligand-Target Pair | |
Sphingomyelin phosphodiesterase [1-45,48-631]
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description Inhibitory activity against Acid sphingomyelinase |
Bioorg Med Chem Lett 13: 3151-3 (2003)
BindingDB Entry DOI: 10.7270/Q2R49SZ9 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase in human placental microsomes |
J Nat Prod 71: 1161-6 (2008)
Article DOI: 10.1021/np8000255 BindingDB Entry DOI: 10.7270/Q21R6Q9H |
More data for this Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 2.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dongguk University
Curated by ChEMBL
| Assay Description Competitive inhibition of IDH1-R132H mutant (unknown origin) using a-ketoglutarate and NADPH as substrate by steady state kinetic analysis |
Bioorg Med Chem Lett 25: 5625-31 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.034 BindingDB Entry DOI: 10.7270/Q22809D3 |
More data for this Ligand-Target Pair | |
Nuclear factor NF-kappa-B p105 subunit
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description Inhibition of p50 after 1 hr by ELISA |
J Nat Prod 72: 2028-31 (2009)
Article DOI: 10.1021/np900517h BindingDB Entry DOI: 10.7270/Q2R49QWK |
More data for this Ligand-Target Pair | |
Transcription factor p65
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA |
J Nat Prod 72: 2028-31 (2009)
Article DOI: 10.1021/np900517h BindingDB Entry DOI: 10.7270/Q2R49QWK |
More data for this Ligand-Target Pair | |
Sialidase
(Clostridium perfringens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University
Curated by ChEMBL
| Assay Description Inhibition of Clostridium perfringens neuraminidase by fluorometry |
Bioorg Med Chem 18: 6258-64 (2010)
Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4 |
More data for this Ligand-Target Pair | |
Sialidase
(Clostridium perfringens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | UniProtKB/SwissProt
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| Article PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University
Curated by ChEMBL
| Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry |
Bioorg Med Chem 18: 6258-64 (2010)
Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4 |
More data for this Ligand-Target Pair | |
Transcription factor p65
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI... |
J Nat Prod 74: 1117-25 (2011)
Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO2 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V |
More data for this Ligand-Target Pair | |
Sphingomyelin phosphodiesterase
(Homo sapiens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay |
Eur J Med Chem 151: 389-400 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.065 BindingDB Entry DOI: 10.7270/Q21R6T2M |
More data for this Ligand-Target Pair | |
Sphingomyelin phosphodiesterase
(Bos taurus) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain-derived acidic sphingomyelinase |
Eur J Med Chem 151: 389-400 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.065 BindingDB Entry DOI: 10.7270/Q21R6T2M |
More data for this Ligand-Target Pair | |
Probable maltase-glucoamylase 2
(Homo sapiens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | UniProtKB/SwissProt
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| Article PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University
Curated by ChEMBL
| Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis |
Bioorg Med Chem 26: 737-746 (2018)
Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34 |
More data for this Ligand-Target Pair | |
Probable maltase-glucoamylase 2
(Homo sapiens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University
Curated by ChEMBL
| Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometry |
Bioorg Med Chem 26: 737-746 (2018)
Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry |
Bioorg Med Chem 26: 737-746 (2018)
Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis |
Bioorg Med Chem 26: 737-746 (2018)
Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34 |
More data for this Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity to mouse STING by ITC assay |
J Med Chem 63: 3785-3816 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01039 BindingDB Entry DOI: 10.7270/Q22B92BD |
More data for this Ligand-Target Pair | |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ... |
Eur J Med Chem 167: 153-160 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.011 BindingDB Entry DOI: 10.7270/Q20005CM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
MAP/microtubule affinity-regulating kinase 4
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Millia Islamia University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MARK4 incubated for 2 hrs by [gamma32P]ATP assay |
J Nat Prod 82: 2252-2261 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00372 BindingDB Entry DOI: 10.7270/Q2TH8R1T |
More data for this Ligand-Target Pair | |
Sphingomyelin phosphodiesterase
(Homo sapiens) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay |
J Med Chem 63: 961-974 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
KEGG
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| Article PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins... |
J Med Chem 63: 3370-3380 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00060 BindingDB Entry DOI: 10.7270/Q20Z76QT |
More data for this Ligand-Target Pair | |
Phosphoglycerate mutase 1
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
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| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of PGAM1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127820 BindingDB Entry DOI: 10.7270/Q2KW5KQ6 |
More data for this Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | n/a | 1.57E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113113 BindingDB Entry DOI: 10.7270/Q2VD73DS |
More data for this Ligand-Target Pair | |
Sphingomyelin phosphodiesterase 2
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description Inhibitory activity against NSMase (neutral sphingomyelinase) |
Bioorg Med Chem Lett 13: 3151-3 (2003)
BindingDB Entry DOI: 10.7270/Q2R49SZ9 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061 BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |