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PubChem AID 588481

Compile Data Set for Download or QSAR

Found 464 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)		BDBM31009
PNG
(1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...)
Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83477
PNG
(2-amino-7-keto-8,10-dimethyl-4-phenyl-4H-furo[1,2]...)
Show SMILES Cc1oc(C)c2c1c1OC(=N)C(C#N)C(c3ccccc3)c1ccc2=O
Show InChI InChI=1S/C21H16N2O3/c1-11-17-16(24)9-8-14-19(13-6-4-3-5-7-13)15(10-22)21(23)26-20(14)18(17)12(2)25-11/h3-9,15,19,23H,1-2H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52143
PNG
(2-cyano-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylquino...)
Show SMILES O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C22H21N5O/c23-14-17(22(28)24-15-16-8-2-1-3-9-16)20-21(27-12-6-7-13-27)26-19-11-5-4-10-18(19)25-20/h1-5,8-11,17H,6-7,12-13,15H2,(H,24,28)
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n/an/an/an/a 4.64E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83482
PNG
(MLS000089446 | N-(1,3-benzodioxol-5-yl)-3-methyl-6...)
Show SMILES Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15N3O3S/c1-12-18(19(24)21-14-7-8-16-17(9-14)26-11-25-16)27-20-22-15(10-23(12)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,24)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83484
PNG
(5-[[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]am...)
Show SMILES Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C20H15N7O/c1-11-9-12(2)27(26-11)19-18(22-14-5-3-4-6-15(14)23-19)21-13-7-8-16-17(10-13)25-20(28)24-16/h3-10H,1-2H3,(H,21,22)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83485
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15N3O3S2/c24-16(14-6-7-17-18(10-14)26-9-8-25-17)12-28-20-22-21-19-23(20)15(11-27-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52217
PNG
((2Z)-2-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylid...)
Show SMILES COc1ccc2N(C)\C(Sc2c1)=C\C(=O)c1ccncc1
Show InChI InChI=1S/C16H14N2O2S/c1-18-13-4-3-12(20-2)9-15(13)21-16(18)10-14(19)11-5-7-17-8-6-11/h3-10H,1-2H3/b16-10-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52227
PNG
(3-Ethyl-2-[2-(5-nitro-furan-2-yl)-vinyl]-3H-quinaz...)
Show SMILES CCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
Show InChI InChI=1S/C16H13N3O4/c1-2-18-14(9-7-11-8-10-15(23-11)19(21)22)17-13-6-4-3-5-12(13)16(18)20/h3-10H,2H2,1H3/b9-7+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52233
PNG
(2-(1,3-benzoxazol-2-yl)-3-benzo[f][1]benzopyranone...)
Show SMILES O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1
Show InChI InChI=1S/C20H11NO3/c22-20-15(19-21-16-7-3-4-8-18(16)23-19)11-14-13-6-2-1-5-12(13)9-10-17(14)24-20/h1-11H
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83493
PNG
(3-Amino-6-methyl-thieno[2,3-b]quinoline-2-carboxyl...)
Show SMILES Cc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1
Show InChI InChI=1S/C18H15N3O2S/c1-10-4-5-14-11(7-10)8-13-15(19)16(24-18(13)21-14)17(22)20-9-12-3-2-6-23-12/h2-8H,9,19H2,1H3,(H,20,22)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83213
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(3-methylbenzyl...)
Show SMILES COc1cc2n(Cc3cccc(C)c3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C26H22FN3O2/c1-16-5-4-6-17(11-16)14-30-15-21-25(18-7-9-19(27)10-8-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/an/an/a 2.41E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52261
PNG
((4Z)-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-(phenylaza...)
Show SMILES Oc1oc(\C=C\c2cccc(c2)[N+]([O-])=O)nc1\C=N\c1ccccc1
Show InChI InChI=1S/C18H13N3O4/c22-18-16(12-19-14-6-2-1-3-7-14)20-17(25-18)10-9-13-5-4-8-15(11-13)21(23)24/h1-12,22H/b10-9+,19-12+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
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n/an/an/an/a 1.74E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM50958
PNG
((E)-3-(4-ethoxy-2-nitro-anilino)-1-(4-methoxypheny...)
Show SMILES CCOc1ccc(N=CCC(=O)c2ccc(OC)cc2)c(c1)[N+]([O-])=O |w:7.6|
Show InChI InChI=1S/C18H18N2O5/c1-3-25-15-8-9-16(17(12-15)20(22)23)19-11-10-18(21)13-4-6-14(24-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83542
PNG
((4Z)-4-{[(2-hydroxy-1H-benzimidazol-6-yl)amino]met...)
Show SMILES Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:15.17|
Show InChI InChI=1S/C19H17N5O2/c1-11-4-3-5-14(8-11)24-18(25)15(12(2)23-24)10-20-13-6-7-16-17(9-13)22-19(26)21-16/h3-10,23H,1-2H3,(H2,21,22,26)/b20-10+
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n/an/an/an/a 3.60E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83544
PNG
(MLS000582990 | N-(3-methylphenyl)-3-nitro-4-(2-phe...)
Show SMILES Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C22H21N3O3/c1-16-6-5-9-19(14-16)24-22(26)18-10-11-20(21(15-18)25(27)28)23-13-12-17-7-3-2-4-8-17/h2-11,14-15,23H,12-13H2,1H3,(H,24,26)
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n/an/an/an/a 1.79E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83548
PNG
((3Z)-5-(4-methylphenyl)-3-(thiophen-2-ylmethyliden...)
Show SMILES Cc1ccc(cc1)C1=C\C(=C\c2cccs2)C(=O)O1 |t:8|
Show InChI InChI=1S/C16H12O2S/c1-11-4-6-12(7-5-11)15-10-13(16(17)18-15)9-14-3-2-8-19-14/h2-10H,1H3/b13-9-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83551
PNG
((2Z)-1-(4-chlorophenyl)-2-(7-methyl-[1,3]dioxolo[4...)
Show SMILES CN1\C(Sc2cc3OCOc3cc12)=C\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3S/c1-19-12-6-14-15(22-9-21-14)8-16(12)23-17(19)7-13(20)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3/b17-7-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83553
PNG
((3-Amino-8-methyl-thieno[2,3-b]quinolin-2-yl)-(2,3...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C21H17N3OS/c1-12-5-4-7-14-11-15-17(22)19(26-20(15)23-18(12)14)21(25)24-10-9-13-6-2-3-8-16(13)24/h2-8,11H,9-10,22H2,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM61612
PNG
((2E,5Z)-5-(2,4-dimethoxybenzylidene)-2-[2-(4-methy...)
Show SMILES COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1
Show InChI InChI=1S/C21H19NO4S/c1-13-4-6-14(7-5-13)17(23)12-20-22-21(24)19(27-20)10-15-8-9-16(25-2)11-18(15)26-3/h4-12H,1-3H3,(H,22,24)/b19-10+,20-12-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83557
PNG
(6-chloranyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]chro...)
Show SMILES COc1ccc(\C=C\c2cc(=O)c3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C18H13ClO3/c1-21-14-6-2-12(3-7-14)4-8-15-11-17(20)16-10-13(19)5-9-18(16)22-15/h2-11H,1H3/b8-4+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83572
PNG
(1-(2-benzoyl-6-hydroxy-3-methyl-1-benzofuran-5-yl)...)
Show SMILES CC(=O)c1cc2c(C)c(oc2cc1O)C(=O)c1ccccc1
Show InChI InChI=1S/C18H14O4/c1-10-13-8-14(11(2)19)15(20)9-16(13)22-18(10)17(21)12-6-4-3-5-7-12/h3-9,20H,1-2H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83577
PNG
((E)-2-(1H-benzimidazol-2-yl)-3-[3-(1-benzofuran-2-...)
Show SMILES N#C\C(=C/c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H17N5O/c28-16-19(27-29-22-11-5-6-12-23(22)30-27)14-20-17-32(21-9-2-1-3-10-21)31-26(20)25-15-18-8-4-7-13-24(18)33-25/h1-15,17H,(H,29,30)/b19-14+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83578
PNG
((E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [...)
Show SMILES CCc1cccc(CC)c1NC(=O)COC(=O)C(=C\c1ccc(OC)cc1)\C#N
Show InChI InChI=1S/C23H24N2O4/c1-4-17-7-6-8-18(5-2)22(17)25-21(26)15-29-23(27)19(14-24)13-16-9-11-20(28-3)12-10-16/h6-13H,4-5,15H2,1-3H3,(H,25,26)/b19-13+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83580
PNG
(MLS000374846 | N-[[2-(1H-benzimidazol-2-yl)-1-(3-c...)
Show SMILES Clc1cccc(c1)C(Cc1nc2ccccc2[nH]1)N=Nc1ccccc1 |w:18.20|
Show InChI InChI=1S/C21H17ClN4/c22-16-8-6-7-15(13-16)20(26-25-17-9-2-1-3-10-17)14-21-23-18-11-4-5-12-19(18)24-21/h1-13,20H,14H2,(H,23,24)/b26-25+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83581
PNG
((2E)-N-benzyl-2-cyano-3-(2-methyl-1H-indol-3-yl)ac...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C(/C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H17N3O/c1-14-18(17-9-5-6-10-19(17)23-14)11-16(12-21)20(24)22-13-15-7-3-2-4-8-15/h2-11,23H,13H2,1H3,(H,22,24)/b16-11+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83585
PNG
((4Z)-4-[4-(dimethylamino)benzylidene]-1-(2-furfury...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccco2)C(=O)\C1=C/c1ccc(cc1)N(C)C |c:4|
Show InChI InChI=1S/C21H22N2O4/c1-14-19(21(25)26-4)18(12-15-7-9-16(10-8-15)22(2)3)20(24)23(14)13-17-6-5-11-27-17/h5-12H,13H2,1-4H3/b18-12-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83594
PNG
(3-[(2-hydroxy-5-methyl-phenyl)hydrazono]pentane-2,...)
Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cc(-[#6])ccc1-[#8])\[#6](-[#6])=O
Show InChI InChI=1S/C12H14N2O3/c1-7-4-5-11(17)10(6-7)13-14-12(8(2)15)9(3)16/h4-6,13,17H,1-3H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM49765
PNG
(3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]chromen-2...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H12N2O3S/c21-13-7-5-12(6-8-13)19-18-20-15(10-24-18)14-9-11-3-1-2-4-16(11)23-17(14)22/h1-10,21H,(H,19,20)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83599
PNG
(3-amino-5-keto-7-(p-tolyl)thiazolo[3,2-a]pyrimidin...)
Show SMILES Cc1ccc(cc1)-c1nc2sc(C#N)c(N)n2c(=O)c1C#N
Show InChI InChI=1S/C15H9N5OS/c1-8-2-4-9(5-3-8)12-10(6-16)14(21)20-13(18)11(7-17)22-15(20)19-12/h2-5H,18H2,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83602
PNG
((2Z)-1-keto-3-methyl-2-(o-anisidinomethylene)pyrid...)
Show SMILES COc1ccccc1N=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O |w:8.8|
Show InChI InChI=1S/C21H16N4O2/c1-13-14(11-22)20-24-16-7-3-5-9-18(16)25(20)21(26)15(13)12-23-17-8-4-6-10-19(17)27-2/h3-10,12,24H,1-2H3/b23-12+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM52675
PNG
(5-(2-fluorobenzyl)-7,8-dimethoxy-3-phenyl-pyrazolo...)
Show SMILES COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-18-21(13-23(22)31-2)29(14-17-10-6-7-11-20(17)26)15-19-24(27-28-25(18)19)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83618
PNG
(4-methyl-N-(1-methylpropylideneamino)-3-nitro-benz...)
Show SMILES CC[C+](C)[N-]NS(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O4S/c1-4-9(3)12-13-19(17,18)10-6-5-8(2)11(7-10)14(15)16/h5-7,13H,4H2,1-3H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83623
PNG
((4Z)-1-isobutyl-5-keto-2-methyl-4-(2-thenylidene)-...)
Show SMILES CCOC(=O)C1=C(C)N(CC(C)C)C(=O)\C1=C/c1cccs1 |c:5|
Show InChI InChI=1S/C17H21NO3S/c1-5-21-17(20)15-12(4)18(10-11(2)3)16(19)14(15)9-13-7-6-8-22-13/h6-9,11H,5,10H2,1-4H3/b14-9-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM51272
PNG
((2E)-1-acetyl-2-[(4-chloroanilino)methylene]pseudo...)
Show SMILES CC(=O)n1c(C=Nc2ccc(Cl)cc2)c(O)c2ccccc12 |w:6.6|
Show InChI InChI=1S/C17H13ClN2O2/c1-11(21)20-15-5-3-2-4-14(15)17(22)16(20)10-19-13-8-6-12(18)7-9-13/h2-10,22H,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM60871
PNG
((2E)-3-ethyl-2-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa...)
Show SMILES CCn1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:4.3|
Show InChI InChI=1S/C18H16N2O3/c1-2-20-17(10-8-12-7-9-15(21)16(22)11-12)19-14-6-4-3-5-13(14)18(20)23/h3-11,21-22H,2H2,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM61238
PNG
(5-(5-Benzyloxy-1H-indol-3-ylmethylene)-pyrimidine-...)
Show SMILES O=C1NC(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 |(20.38,2.19,;18.87,1.87,;17.84,3.02,;16.34,2.7,;15.31,3.85,;15.86,1.24,;14.35,.92,;13.87,-.54,;14.77,-1.78,;13.87,-3.02,;12.42,-2.55,;11.08,-3.32,;9.75,-2.55,;9.75,-1.01,;8.41,-.24,;7.08,-1.01,;5.75,-.24,;5.75,1.3,;4.41,2.07,;3.08,1.3,;3.08,-.24,;4.41,-1.01,;11.08,-.24,;12.42,-1.01,;16.89,.09,;16.41,-1.37,;18.39,.41,)|
Show InChI InChI=1S/C20H15N3O4/c24-18-16(19(25)23-20(26)22-18)8-13-10-21-17-7-6-14(9-15(13)17)27-11-12-4-2-1-3-5-12/h1-10,21H,11H2,(H2,22,23,24,25,26)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83255
PNG
(3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxal...)
Show SMILES COc1ccc(OC)c(\C=C\c2nc3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)12(11-13)7-9-16-18(21)20-15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,20,21)/b9-7+
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83662
PNG
(4-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]su...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOc2ccc(C)cc12)-c1cc(C)no1
Show InChI InChI=1S/C20H20N2O5S/c1-13-4-6-17-16(10-13)22(8-9-26-17)28(23,24)20-12-15(5-7-18(20)25-3)19-11-14(2)21-27-19/h4-7,10-12H,8-9H2,1-3H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83665
PNG
((3E)-5-nitro-1H-indole-2,3-dione 3-[(4-fluoropheny...)
Show SMILES [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]Nc3ccc(F)cc3)c2c1 |w:11.11|
Show InChI InChI=1S/C14H9FN4O3/c15-8-1-3-9(4-2-8)17-18-13-11-7-10(19(21)22)5-6-12(11)16-14(13)20/h1-7H,(H2,16,17,18,20)
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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/Q2Z31X54
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 5.26E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83667
PNG
(2-[(3-Chloro-4-methyl-phenylcarbamoyl)-methanesulf...)
Show SMILES Cc1ccc(o1)-c1ccccc1NC(=O)CS(=O)CC(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4S/c1-14-7-9-16(11-18(14)23)24-21(26)12-30(28)13-22(27)25-19-6-4-3-5-17(19)20-10-8-15(2)29-20/h3-11H,12-13H2,1-2H3,(H,24,26)(H,25,27)
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n/an/an/an/a 3.41E+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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83670
PNG
(1-[4-[4-(4-methylfuro[3,2-c]quinolin-2-yl)carbonyl...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c(C)nc3ccccc3c2o1
Show InChI InChI=1S/C25H23N3O3/c1-16-21-15-23(31-24(21)20-5-3-4-6-22(20)26-16)25(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)17(2)29/h3-10,15H,11-14H2,1-2H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83671
PNG
(3-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-th...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1
Show InChI InChI=1S/C19H17N3O2S2/c1-13-4-6-14(7-5-13)11-16-18(24)22(19(25)26-16)10-8-17(23)21-15-3-2-9-20-12-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,23)/b16-11-
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83684
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...)
Show SMILES Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccs1
Show InChI InChI=1S/C21H14N2O4S2/c1-11-6-7-12-15(10-11)29-21(22-12)23-17(14-5-3-9-28-14)16(19(25)20(23)26)18(24)13-4-2-8-27-13/h2-10,16-17H,1H3
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83693
PNG
(MLS002425464 | SMR001371390 | cid_44142835)
Show SMILES [H][C@]12COc3ccc(C)cc3[C@]1([H])N1C(=O)CN(CCCC)C(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C26H30N2O3/c1-4-5-13-27-15-22(29)28-24-19-14-17(2)11-12-21(19)31-16-20(24)23(26(28,3)25(27)30)18-9-7-6-8-10-18/h6-12,14,20,23-24H,4-5,13,15-16H2,1-3H3/t20-,23+,24+,26-/m1/s1
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83696
PNG
(4-bromanyl-N-[(2-methyl-3-pyridin-4-ylcarbonyl-ind...)
Show SMILES Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 |w:4.4|
Show InChI InChI=1S/C23H17BrN4O2/c1-15-19(14-26-27-23(30)17-5-7-18(24)8-6-17)20-4-2-3-13-28(20)21(15)22(29)16-9-11-25-12-10-16/h2-14H,1H3,(H,27,30)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)		BDBM83697
PNG
(6-amino-1-cyclopropyl-5-[2-[1-(2,6-dimethylphenyl)...)
Show SMILES Cc1cccc(C)c1-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O |(5.19,6.38,;4.86,4.88,;3.4,4.4,;3.08,2.9,;4.22,1.87,;5.69,2.34,;6.83,1.31,;6.01,3.85,;7.47,4.32,;7.95,5.79,;9.49,5.79,;9.97,4.32,;8.72,3.42,;8.72,1.88,;10.05,1.11,;10.05,-.43,;8.72,-1.2,;11.39,-1.2,;11.39,-2.74,;10.05,-3.51,;12.72,-3.51,;12.72,-5.05,;11.95,-6.38,;13.49,-6.38,;14.05,-2.74,;15.39,-3.51,;14.05,-1.2,;12.72,-.43,;12.72,1.11,)|
Show InChI InChI=1S/C18H19N7O3S/c1-9-4-3-5-10(2)14(9)25-18(21-22-23-25)29-8-12(26)13-15(19)24(11-6-7-11)17(28)20-16(13)27/h3-5,11H,6-8,19H2,1-2H3,(H,20,27,28)
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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/Q2Z31X54
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%