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22 similar compounds to monomer 50042977

Compile data set for download or QSAR
Wt: 286.2
BDBM50042956
Wt: 314.3
BDBM50042958
Wt: 300.3
BDBM50042968
Wt: 300.3
BDBM50042971
Wt: 328.3
BDBM50042948
Wt: 314.3
BDBM50042951
Wt: 314.3
BDBM50042952
Wt: 328.3
BDBM50042953
Wt: 346.3
BDBM50159293
Wt: 344.3
BDBM50159295
Wt: 464.5
BDBM50384242
Wt: 328.3
BDBM50384243
Purchase
Wt: 344.3
BDBM50403019
Purchase
Wt: 352.3
BDBM50415544
Wt: 268.3
BDBM50440637
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50042956,50042958,50042968,50042971,50042948,50042951,50042952,50042953,50159293,50159295,50384242,50384243,50403019,50415544,50440637   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042948
PNG
(1-(5-Butoxy-2-hydroxy-phenyl)-3-(3,4-dihydroxy-phe...)
Show SMILES CCCCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H20O5/c1-2-3-10-24-14-6-9-17(21)15(12-14)16(20)7-4-13-5-8-18(22)19(23)11-13/h4-9,11-12,21-23H,2-3,10H2,1H3/b7-4+
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n/an/a 1.00E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50384243
PNG
(CHEMBL2030210)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H20O5/c1-21-14-7-10-17(22-2)15(12-14)16(20)8-5-13-6-9-18(23-3)19(11-13)24-4/h5-12H,1-4H3/b8-5+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Youai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 22: 3983-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.094
BindingDB Entry DOI: 10.7270/Q2RR209T
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042953
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(5-isopropoxy-2-methoxy...)
Show SMILES COc1ccc(OC(C)C)cc1C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H20O5/c1-12(2)24-14-6-9-19(23-3)15(11-14)16(20)7-4-13-5-8-17(21)18(22)10-13/h4-12,21-22H,1-3H3/b7-4+
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n/an/a 14n/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)
BDBM50042971
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-hydroxy-phe...)
Show SMILES CCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-2-22-12-5-8-15(19)13(10-12)14(18)6-3-11-4-7-16(20)17(21)9-11/h3-10,19-21H,2H2,1H3/b6-3+
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n/an/a 5.30n/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)
BDBM50042968
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dimethoxy-phenyl)-...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-12-5-8-17(22-2)13(10-12)14(18)6-3-11-4-7-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b6-3+
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n/an/a 7.80n/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)
BDBM50042958
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-ethoxy-5-methoxy-phe...)
Show SMILES CCOc1ccc(OC)cc1C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-3-23-18-9-6-13(22-2)11-14(18)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+
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n/an/a 27n/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)
BDBM50042952
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-isopropoxy...)
Show SMILES CC(C)Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-11(2)23-13-5-8-16(20)14(10-13)15(19)6-3-12-4-7-17(21)18(22)9-12/h3-11,20-22H,1-2H3/b6-3+
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n/an/a 11n/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)
BDBM50042956
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-methoxy-ph...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O5/c1-21-11-4-7-14(18)12(9-11)13(17)5-2-10-3-6-15(19)16(20)8-10/h2-9,18-20H,1H3/b5-2+
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n/an/a 41n/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
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50159293
PNG
((E)-3-(3,4,5-Trihydroxy-phenyl)-1-(2,3,4-trimethox...)
Show SMILES COc1ccc(C(=O)\C=C\c2cc(O)c(O)c(O)c2)c(OC)c1OC
Show InChI InChI=1S/C18H18O7/c1-23-15-7-5-11(17(24-2)18(15)25-3)12(19)6-4-10-8-13(20)16(22)14(21)9-10/h4-9,20-22H,1-3H3/b6-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


J Med Chem 48: 457-65 (2005)


Article DOI: 10.1021/jm049444m
BindingDB Entry DOI: 10.7270/Q2416WKV
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50159295
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-1-(20,30,40-...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2OC)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-9-6-12(11-15(16)21)5-8-14(20)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11,21H,1-4H3/b8-5+
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n/an/a 450n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


J Med Chem 48: 457-65 (2005)


Article DOI: 10.1021/jm049444m
BindingDB Entry DOI: 10.7270/Q2416WKV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50440637
PNG
(CHEMBL2429959)
Show SMILES CCOc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O3/c1-2-20-14-9-11-17(19)15(12-14)16(18)10-8-13-6-4-3-5-7-13/h3-12,19H,2H2,1H3/b10-8+
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n/an/a 5.30E+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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50403019
PNG
(CHEMBL2208193)
Show SMILES COc1ccc(\C=C\C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1
Show InChI InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-14(20)17-15(21)11-16(23-2)18(24-3)19(17)25-4/h5-11,21H,1-4H3/b10-7+
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n/an/an/an/a 3.10E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in human L02 cells co-expressing pGL3-SV40-GAL4 after 24 hrs by luciferase reporter gene based transactiv...


J Nat Prod 75: 2076-81 (2012)


Article DOI: 10.1021/np300386d
BindingDB Entry DOI: 10.7270/Q2PV6MJB
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415544
PNG
(CHEMBL597626)
Show SMILES COc1ccc(C(=O)\C=C\c2cccc(OCC#C)c2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-13-26-16-8-6-7-15(14-16)9-11-18(22)17-10-12-19(23-2)21(25-4)20(17)24-3/h1,6-12,14H,13H2,2-4H3/b11-9+
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n/an/a>1.90E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50384242
PNG
(CHEMBL2030209)
Show SMILES COc1ccc(\C=C\C(=O)c2c(OCc3ccccc3)cc(OC)c(OC)c2OC)cc1OC
Show InChI InChI=1S/C27H28O7/c1-29-21-14-12-18(15-22(21)30-2)11-13-20(28)25-23(34-17-19-9-7-6-8-10-19)16-24(31-3)26(32-4)27(25)33-5/h6-16H,17H2,1-5H3/b13-11+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Youai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 22: 3983-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.094
BindingDB Entry DOI: 10.7270/Q2RR209T
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042951
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-methoxy-phe...)
Show SMILES CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-3-23-13-6-9-18(22-2)14(11-13)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+
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n/an/a 3.80n/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