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3 similar compounds to monomer 50303403

Compile data set for download or QSAR
Wt: 218.2
BDBM33456
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Wt: 296.3
BDBM76644
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Wt: 266.2
BDBM76662
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 33456,76644,76662   
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
Factor XIIa


(Homo sapiens (Human))
BDBM33456
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) ethanoate ...)
Show SMILES CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PV6HQB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76644
PNG
(4-methyl-7-p-anisyloxy-coumarin | 7-(4-Methoxy-ben...)
Show SMILES COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 2.00E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.65E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76644
PNG
(4-methyl-7-p-anisyloxy-coumarin | 7-(4-Methoxy-ben...)
Show SMILES COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 3.23E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2.10E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76644
PNG
(4-methyl-7-p-anisyloxy-coumarin | 7-(4-Methoxy-ben...)
Show SMILES COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 2.16E+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/Q27H1H10
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2.41E+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/Q27H1H10
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A


J Med Chem 44: 3195-8 (2001)


Article DOI: 10.1021/jm010894d
BindingDB Entry DOI: 10.7270/Q2HQ417K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B


J Med Chem 44: 3195-8 (2001)


Article DOI: 10.1021/jm010894d
BindingDB Entry DOI: 10.7270/Q2HQ417K
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


Article DOI: 10.1021/jm001028o
BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 18.2n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


Article DOI: 10.1021/jm001028o
BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.58n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 18.2n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 5.28E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2.62E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin L


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM33456
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) ethanoate ...)
Show SMILES CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
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n/an/a 241n/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: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair