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PubChem AID 588603

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83682
PNG
(2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(2-morpholin-4...)
Show SMILES O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
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n/an/an/an/a 5.15E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM45195
PNG
(4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a...)
Show SMILES Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H13N5O3/c23-11-12-5-8-14(9-6-12)27-21(29)17-18(25-26-19(17)22(27)30)20(28)16-10-7-13-3-1-2-4-15(13)24-16/h1-10,25-26,30H
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n/an/an/an/a 7.74E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM61783
PNG
(1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfon...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2FN3O3S/c19-12-1-6-17(16(20)11-12)23-18(25)22-14-7-9-24(10-8-14)28(26,27)15-4-2-13(21)3-5-15/h1-6,11,14H,7-10H2,(H2,22,23,25)
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n/an/an/an/a 2.69E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83668
PNG
(MLS001124551 | N-(2-furanylmethyl)-4-[[(1,3,3-trim...)
Show SMILES CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccco1
Show InChI InChI=1S/C24H25N3O5S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28)
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n/an/an/an/a 3.35E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83659
PNG
(3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorop...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3
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n/an/an/an/a 3.48E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83624
PNG
(3-(3-Hydroxy-propyl)-4-imino-10-phenyl-3,10-dihydr...)
Show SMILES OCCCn1cnc2Oc3cc(O)ccc3C(c3ccccc3)c2c1=N
Show InChI InChI=1S/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2
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n/an/an/an/a 6.20E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83663
PNG
(4-[[(2-keto-1,3,3-trimethyl-indolin-5-yl)sulfonyla...)
Show SMILES CCC(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2)cc1
Show InChI InChI=1S/C23H29N3O4S/c1-6-15(2)25-21(27)17-9-7-16(8-10-17)14-24-31(29,30)18-11-12-20-19(13-18)23(3,4)22(28)26(20)5/h7-13,15,24H,6,14H2,1-5H3,(H,25,27)
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n/an/an/an/a 2.18E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83604
PNG
((5Z)-3-cyclohexyl-5-(3-ethyl-4,5-dimethyl-1,3-thia...)
Show SMILES CCN1C(C)=C(C)S\C1=C1/SC(=S)N(C2CCCCC2)C1=O |t:4|
Show InChI InChI=1S/C16H22N2OS3/c1-4-17-10(2)11(3)21-15(17)13-14(19)18(16(20)22-13)12-8-6-5-7-9-12/h12H,4-9H2,1-3H3/b15-13-
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n/an/an/an/a 2.24E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM84111
PNG
(MLS-0466682.0001 | N'-[(E)-3-indolylidenemethyl]-4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N\[NH+]=C\c1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O4S/c20-19(21)12-5-7-13(8-6-12)24(22,23)18-17-10-11-9-16-15-4-2-1-3-14(11)15/h1-10,18H/q-1/p+1/b17-10+
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n/an/an/an/a 5.68E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83587
PNG
((5-amino-1-methylsulfonylpyrazol-3-yl) 2-methyl-3-...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1cc(N)n(n1)S(C)(=O)=O
Show InChI InChI=1S/C12H12N4O6S/c1-7-8(4-3-5-9(7)16(18)19)12(17)22-11-6-10(13)15(14-11)23(2,20)21/h3-6H,13H2,1-2H3
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n/an/an/an/a 6.63E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM75974
PNG
(2-(2-Phenyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-y...)
Show SMILES O=C(CSc1nc(nc2ccccc12)-c1ccccc1)Nc1nccs1
Show InChI InChI=1S/C19H14N4OS2/c24-16(22-19-20-10-11-25-19)12-26-18-14-8-4-5-9-15(14)21-17(23-18)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22,24)
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n/an/an/an/a 2.91E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83533
PNG
(2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(4-nit...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H18N4O3/c1-16-19(20-6-2-4-8-22(20)26-16)14-15-24-27-23-9-5-3-7-21(23)25(30)28(24)17-10-12-18(13-11-17)29(31)32/h2-15,26H,1H3/b15-14+
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n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83666
PNG
(4-methylbenzoic acid [5-amino-1-(4-fluorophenyl)su...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O4S/c1-11-2-4-12(5-3-11)17(22)25-16-10-15(19)21(20-16)26(23,24)14-8-6-13(18)7-9-14/h2-10H,19H2,1H3
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n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83648
PNG
(2-(4-chlorophenyl)ethyl-(8-methyl-[1,2,4]triazolo[...)
Show SMILES Cc1ccc2nc(NCCc3ccc(Cl)cc3)c3nncn3c2c1
Show InChI InChI=1S/C18H16ClN5/c1-12-2-7-15-16(10-12)24-11-21-23-18(24)17(22-15)20-9-8-13-3-5-14(19)6-4-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)
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n/an/an/an/a 1.77E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83496
PNG
(3-[4-(1-azepanylsulfonyl)anilino]-2-(2-pyridinyl)-...)
Show SMILES O=C1N(C(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2ccccc12)c1ccccn1
Show InChI InChI=1S/C25H26N4O3S/c30-25-22-10-4-3-9-21(22)24(29(25)23-11-5-6-16-26-23)27-19-12-14-20(15-13-19)33(31,32)28-17-7-1-2-8-18-28/h3-6,9-16,24,27H,1-2,7-8,17-18H2
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n/an/an/an/a 1.93E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83573
PNG
((3aS,6aS)-5-(3-Fluoro-phenyl)-3-(quinoline-2-carbo...)
Show SMILES Oc1n(-c2cccc(F)c2)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H11FN4O3/c22-12-5-3-6-13(10-12)26-20(28)16-17(24-25-18(16)21(26)29)19(27)15-9-8-11-4-1-2-7-14(11)23-15/h1-10,29H
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n/an/an/an/a 2.44E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM50771
PNG
(3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-pro...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-3-10-28-15-6-4-5-14(12-15)18-17(19(25)16-8-7-13(2)29-16)20(26)21(27)24(18)22-23-9-11-30-22/h3-9,11-12,17-18H,1,10H2,2H3
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n/an/an/an/a 2.23E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83576
PNG
(4-fluoranyl-N-[[4-thiophen-2-yl-6-(trifluoromethyl...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=O)Nc1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H10F4N4O2S/c18-10-5-3-9(4-6-10)14(26)24-16(27)25-15-22-11(12-2-1-7-28-12)8-13(23-15)17(19,20)21/h1-8H,(H2,22,23,24,25,26,27)
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n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83664
PNG
(4-[[(2-keto-1,3,3-trimethyl-indolin-5-yl)sulfonyla...)
Show SMILES CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccc(C)o1
Show InChI InChI=1S/C25H27N3O5S/c1-16-5-10-19(33-16)15-26-23(29)18-8-6-17(7-9-18)14-27-34(31,32)20-11-12-22-21(13-20)25(2,3)24(30)28(22)4/h5-13,27H,14-15H2,1-4H3,(H,26,29)
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n/an/an/an/a 9.72E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM80753
PNG
(4-(2-hydroxy-1-naphthalenyl)naphthalene-1,2-dione ...)
Show SMILES Oc1ccc2ccccc2c1C1=CC(=O)C(=O)c2ccccc12 |t:13|
Show InChI InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%