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24 molecules are shown

Wt: 124.1
BDBM50195868Purchase		Wt: 166.2
BDBM50195871Purchase		Wt: 446.8
BDBM50226836Purchase		Wt: 442.4
BDBM50226816Purchase		Wt: 454.4
BDBM50226830Purchase
Wt: 161.1
BDBM50226833Purchase		Wt: 234.2
BDBM50332178Purchase		Wt: 325.3
BDBM50332181Purchase		Wt: 286.3
BDBM50332182Purchase
<<  First   |  Previous   |  Displayed 16 to 24 (of 24 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50195868,50195871,50226836,50226816,50226830,50226833,50332178,50332181,50332182   
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 8.20E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.

J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1080/14756360409162452
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Biofilm regulatory protein A


(Streptococcus mutans serotype c (strain ATCC 70061...)		BDBM50332182
PNG
(4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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n/an/a 1.22E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 5.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226836
PNG
(3-((4-chlorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-y...)
Show SMILES Oc1c(C(c2ccc(Cl)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15ClO6/c26-14-11-9-13(10-12-14)19(20-22(27)15-5-1-3-7-17(15)31-24(20)29)21-23(28)16-6-2-4-8-18(16)32-25(21)30/h1-12,19,27-28H
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226833
PNG
(4-amino-2H-chromen-2-one | CHEMBL240482)
Show SMILES Nc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
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n/an/a 3.25E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226816
PNG
(4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...)
Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3
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n/an/a 220n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))		BDBM50332182
PNG
(4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2

Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))		BDBM50332181
PNG
(2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acry...)
Show SMILES COc1ccc(cc1)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11H,1-4H3/b15-9-
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2

Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226816
PNG
(4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...)
Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226833
PNG
(4-amino-2H-chromen-2-one | CHEMBL240482)
Show SMILES Nc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50226836
PNG
(3-((4-chlorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-y...)
Show SMILES Oc1c(C(c2ccc(Cl)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15ClO6/c26-14-11-9-13(10-12-14)19(20-22(27)15-5-1-3-7-17(15)31-24(20)29)21-23(28)16-6-2-4-8-18(16)32-25(21)30/h1-12,19,27-28H
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50332178
PNG
(CHEMBL1288340 | NSC-65069 | [1,10-Biphenyl]-2,3',4...)
Show SMILES Oc1cc(O)cc(c1)-c1c(O)cc(O)cc1O
Show InChI InChI=1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50332181
PNG
(2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acry...)
Show SMILES COc1ccc(cc1)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11H,1-4H3/b15-9-
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50332182
PNG
(4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50195868
PNG
(CHEMBL223295 | NSC-8735)
Show SMILES Cc1cc(=O)cc(C)o1
Show InChI InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

Bioorg Med Chem Lett 16: 6246-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.015
BindingDB Entry DOI: 10.7270/Q2V988WG
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))		BDBM50195871
PNG
(CHEMBL219898 | NSC-2113)
Show SMILES CCOc1ccc(OCC)cc1
Show InChI InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1

Bioorg Med Chem Lett 16: 6246-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.015
BindingDB Entry DOI: 10.7270/Q2V988WG
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 8.32E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease

Bioorg Med Chem 16: 3456-61 (2008)


Article DOI: 10.1016/j.bmc.2005.09.048
BindingDB Entry DOI: 10.7270/Q2474C5K
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50226816
PNG
(4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...)
Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3
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n/an/a 6.03E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease

Bioorg Med Chem 16: 3456-61 (2008)


Article DOI: 10.1016/j.bmc.2005.09.048
BindingDB Entry DOI: 10.7270/Q2474C5K
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50332182
PNG
(4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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n/an/a 5.49E+3n/an/an/an/an/an/a



University of Campania "L. Vanvitelli"

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addit...

Eur J Med Chem 180: 637-647 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.033
BindingDB Entry DOI: 10.7270/Q29S1VDF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50332182
PNG
(4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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n/an/a 5.48E+3n/an/an/an/an/an/a



University of Campania "L. Vanvitelli"

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measur...

Eur J Med Chem 180: 637-647 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.033
BindingDB Entry DOI: 10.7270/Q29S1VDF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))		BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/an/an/a>5.30E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair