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8 similar compounds to monomer 50042947

Compile data set for download or QSAR
Wt: 268.3
BDBM86006
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Wt: 284.3
BDBM50042992
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Wt: 274.6
BDBM50042973
Wt: 298.3
BDBM50141528
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Wt: 302.7
BDBM50360500
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Wt: 284.3
BDBM50393713
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Wt: 458.5
BDBM50009156
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Wt: 254.2
BDBM50440647

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 86006,50042992,50042973,50141528,50360500,50393713,50009156,50440647   
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
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50393713
PNG
(CHEMBL2158995)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11,18H,1-2H3/b9-3+
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n/an/a 2.65E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis


Bioorg Med Chem 20: 4514-21 (2012)


Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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UniProtKB/TrEMBL

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n/an/a 2.31E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042973
PNG
(1-(4-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-prope...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C15H11ClO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+
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n/an/a 8.5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042992
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H16O4/c1-20-14-7-5-13(6-8-14)15(18)9-3-12-4-10-16(19)17(11-12)21-2/h3-11,19H,1-2H3/b9-3+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50009156
PNG
(CHEMBL1504035)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-15-7-19(17-27(25)33-3)5-13-23(29)21-9-11-22(12-10-21)24(30)14-6-20-8-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-5+,14-6+
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n/an/an/an/a 2.10E+3n/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati...


J Med Chem 57: 2930-41 (2014)


Article DOI: 10.1021/jm401879z
BindingDB Entry DOI: 10.7270/Q2Q81FMQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042992
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H16O4/c1-20-14-7-5-13(6-8-14)15(18)9-3-12-4-10-16(19)17(11-12)21-2/h3-11,19H,1-2H3/b9-3+
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50360500
PNG
(CHEMBL1935208)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClO3/c1-20-16-10-6-13(11-17(16)21-2)15(19)9-5-12-3-7-14(18)8-4-12/h3-11H,1-2H3/b9-5+
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by Fluorometry


Bioorg Med Chem 20: 346-55 (2011)


Article DOI: 10.1016/j.bmc.2011.10.074
BindingDB Entry DOI: 10.7270/Q24X587H
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50360500
PNG
(CHEMBL1935208)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClO3/c1-20-16-10-6-13(11-17(16)21-2)15(19)9-5-12-3-7-14(18)8-4-12/h3-11H,1-2H3/b9-5+
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n/an/a 1.73E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry


Bioorg Med Chem 20: 346-55 (2011)


Article DOI: 10.1016/j.bmc.2011.10.074
BindingDB Entry DOI: 10.7270/Q24X587H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50440647
PNG
(CHEMBL465025)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3/b9-7+
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50141528
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18O4/c1-20-15-8-6-14(7-9-15)16(19)10-4-13-5-11-17(21-2)18(12-13)22-3/h4-12H,1-3H3/b10-4+
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n/an/a 1.50E+4n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair