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5 similar compounds to monomer 50222294

Compile data set for download or QSAR
Wt: 298.2
BDBM38392
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Wt: 298.2
BDBM50241529
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Wt: 284.2
BDBM50241530
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Wt: 282.2
BDBM50299414
Wt: 314.2
BDBM50441625
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 38392,50241529,50241530,50299414,50441625   
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
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38392
PNG
(3-(3,4-dimethoxyphenyl)-7-hydroxy-1-benzopyran-4-o...)
Show SMILES COc1ccc(cc1OC)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
KEGG

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PCBioAssay
n/an/a 1.90E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM38392
PNG
(3-(3,4-dimethoxyphenyl)-7-hydroxy-1-benzopyran-4-o...)
Show SMILES COc1ccc(cc1OC)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
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MMDB

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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50241529
PNG
(7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-chromen...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
Show InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50241530
PNG
(CHEMBL513024 | glycitein)
Show SMILES COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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Article
PubMed
n/an/a 6.83E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50241530
PNG
(CHEMBL513024 | glycitein)
Show SMILES COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of uric acid generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50299414
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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Article
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n/an/an/an/a 2.69E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as luciferase activity by transactivation assay


J Med Chem 52: 6835-50 (2009)


Article DOI: 10.1021/jm900964r
BindingDB Entry DOI: 10.7270/Q2JH3M7G
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50241529
PNG
(7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-chromen...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
Show InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry


Bioorg Med Chem 17: 2476-82 (2009)


Article DOI: 10.1016/j.bmc.2009.01.079
BindingDB Entry DOI: 10.7270/Q2BC40FV
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50241530
PNG
(CHEMBL513024 | glycitein)
Show SMILES COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells by ELISA


Bioorg Med Chem Lett 20: 1162-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.021
BindingDB Entry DOI: 10.7270/Q2M045JZ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441625
PNG
(ODORATIN)
Show SMILES COc1ccc(cc1O)-c1coc2cc(O)c(OC)cc2c1=O
Show InChI InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)11-8-23-15-7-13(19)16(22-2)6-10(15)17(11)20/h3-8,18-19H,1-2H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate


Bioorg Med Chem Lett 23: 5836-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.102
BindingDB Entry DOI: 10.7270/Q28W3FQ0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50299414
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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n/an/an/an/a 2.23E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured...


Bioorg Med Chem 21: 766-78 (2013)


Article DOI: 10.1016/j.bmc.2012.11.040
BindingDB Entry DOI: 10.7270/Q2NC62JK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50299414
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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Article
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n/an/an/an/a 2.69E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured...


Bioorg Med Chem 21: 766-78 (2013)


Article DOI: 10.1016/j.bmc.2012.11.040
BindingDB Entry DOI: 10.7270/Q2NC62JK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50299414
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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n/an/an/an/a 8.90E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured...


Bioorg Med Chem 21: 766-78 (2013)


Article DOI: 10.1016/j.bmc.2012.11.040
BindingDB Entry DOI: 10.7270/Q2NC62JK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50299414
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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n/an/an/an/a 8.90E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as luciferase activity by transactivation assay


J Med Chem 52: 6835-50 (2009)


Article DOI: 10.1021/jm900964r
BindingDB Entry DOI: 10.7270/Q2JH3M7G
More data for this
Ligand-Target Pair