BindingDB logo
myBDB logout

33 similar compounds to monomer 50067040

Compile data set for download or QSAR
Wt: 368.3
BDBM29532
Purchase
Wt: 234.2
BDBM45471
Purchase
Wt: 336.3
BDBM50059982
Wt: 354.3
BDBM50059987
Purchase
Wt: 340.3
BDBM50059988
Purchase
Wt: 340.3
BDBM50067030
Wt: 396.4
BDBM50067038
Purchase
Wt: 338.3
BDBM50163744
Wt: 346.4
BDBM50317420
Wt: 318.4
BDBM50317421
Wt: 290.3
BDBM50317422
Wt: 234.2
BDBM50336271
Wt: 352.3
BDBM50336252
Wt: 516.5
BDBM50336256
Wt: 502.5
BDBM50336261
Purchase
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 29532,45471,50059982,50059987,50059988,50067030,50067038,50163744,50317420,50317421,50317422,50336271,50336252,50336256,50336261   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50317420
PNG
(1-Dehydro-10-gingerdione | CHEMBL1094100)
Show SMILES CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.59E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Applied Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 18: 3345-51 (2010)


Article DOI: 10.1016/j.bmc.2010.02.062
BindingDB Entry DOI: 10.7270/Q2RN381W
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50336261
PNG
(4-(4-hydroxy-3-methoxybenzylidene)-1,7-bis(4-hydro...)
Show SMILES COc1cc(\C=C\C(=O)C(=Cc2ccc(O)c(OC)c2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C29H26O8/c1-35-27-15-18(6-11-24(27)32)4-9-22(30)21(14-20-8-13-26(34)29(17-20)37-3)23(31)10-5-19-7-12-25(33)28(16-19)36-2/h4-17,32-34H,1-3H3/b9-4+,10-5+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis


Bioorg Med Chem 19: 1189-96 (2011)


Article DOI: 10.1016/j.bmc.2010.12.039
BindingDB Entry DOI: 10.7270/Q2222V2X
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50336256
PNG
(4-(3,4-dimethoxybenzylidene)-1,7-bis(4-hydroxy-3-m...)
Show SMILES COc1ccc(C=C(C(=O)\C=C\c2ccc(O)c(OC)c2)C(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C30H28O8/c1-35-27-14-9-21(18-30(27)38-4)15-22(23(31)10-5-19-7-12-25(33)28(16-19)36-2)24(32)11-6-20-8-13-26(34)29(17-20)37-3/h5-18,33-34H,1-4H3/b10-5+,11-6+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis


Bioorg Med Chem 19: 1189-96 (2011)


Article DOI: 10.1016/j.bmc.2010.12.039
BindingDB Entry DOI: 10.7270/Q2222V2X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50317422
PNG
(1-Dehydro-6-gingerdione | CHEMBL1096043)
Show SMILES CCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.53E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Applied Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 18: 3345-51 (2010)


Article DOI: 10.1016/j.bmc.2010.02.062
BindingDB Entry DOI: 10.7270/Q2RN381W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50317421
PNG
(1-Dehydro-8-gingerdione | CHEMBL1096044)
Show SMILES CCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.54E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Applied Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 18: 3345-51 (2010)


Article DOI: 10.1016/j.bmc.2010.02.062
BindingDB Entry DOI: 10.7270/Q2RN381W
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50336252
PNG
(1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-hydroxyphen...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C21H20O5/c1-25-20-12-7-16(13-21(20)26-2)6-11-19(24)14-18(23)10-5-15-3-8-17(22)9-4-15/h3-13,22H,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis


Bioorg Med Chem 19: 1189-96 (2011)


Article DOI: 10.1016/j.bmc.2010.12.039
BindingDB Entry DOI: 10.7270/Q2222V2X
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50336271
PNG
(4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-hexa-3,5-d...)
Show SMILES COc1cc(C=CC(=O)CC(C)=O)ccc1O
Show InChI InChI=1S/C13H14O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h3-6,8,16H,7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis


Bioorg Med Chem 19: 1189-96 (2011)


Article DOI: 10.1016/j.bmc.2010.12.039
BindingDB Entry DOI: 10.7270/Q2222V2X
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.97E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 8.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 9.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 8.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 8.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 9.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 7.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 6.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.11E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.13E+4n/an/an/an/a8.037



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.64E+4n/an/an/an/a8.037



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Lipoxygenase (LOX)


(Glycine max (Soybean))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.78E+4n/an/an/an/a7.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay was progressed in 96-well microliter plates containing substrate, soybean LOX enzyme, and respective test substance at room temperature in ...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.88E+3n/an/an/an/a7.020



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 3'- processing activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 3'- processing activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059987
PNG
((1E,6E)-1-(3,4-Dihydroxy-phenyl)-7-(4-hydroxy-3-me...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 3'- processing activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059988
PNG
((1E,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-hepta-1,6-d...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 3'- processing activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min


Bioorg Med Chem 20: 6040-7 (2012)


Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of GST-p300 HAT assessed as histone acetylation


J Med Chem 50: 1973-7 (2007)


Article DOI: 10.1021/jm060943s
BindingDB Entry DOI: 10.7270/Q2WM1D3K
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...


J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay


J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Jawaharlal Nehru University

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged Candida albicans CDR1 expressed in Saccharomyces cerevisiae assessed as inhibition of R6G efflux


Antimicrob Agents Chemother 53: 3256-65 (2009)


Article DOI: 10.1128/AAC.01497-08
BindingDB Entry DOI: 10.7270/Q2BP032R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059988
PNG
((1E,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-hepta-1,6-d...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50059987
PNG
((1E,6E)-1-(3,4-Dihydroxy-phenyl)-7-(4-hydroxy-3-me...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50067038
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydrox...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-14H,15H2,1-4H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.14E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4


Bioorg Med Chem Lett 15: 1793-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.039
BindingDB Entry DOI: 10.7270/Q20V8DJD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 708n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.77E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.25E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.11E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.57E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Spiroplasma sp. MQ-1 M.SssI


Bioorg Med Chem Lett 19: 706-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.041
BindingDB Entry DOI: 10.7270/Q2PV6M8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>