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PubChem AID 1966

Compile data set for download or QSAR
Found 28 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
Beta-galactosidase


(Escherichia coli)
BDBM48081
PNG
((5Z)-3-anilino-2-thioxo-5-vanillylidene-thiazolidi...)
Show SMILES COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C17H14N2O3S2/c1-22-14-9-11(7-8-13(14)20)10-15-16(21)19(17(23)24-15)18-12-5-3-2-4-6-12/h2-10,18,20H,1H3/b15-10-
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n/an/an/an/a 9.67E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48098
PNG
((5E)-5-[(4-methoxyphenyl)hydrazinylidene]-8-quinol...)
Show SMILES COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3
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n/an/an/an/a 2.46E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48088
PNG
(1-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropy...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccs1
Show InChI InChI=1S/C15H13N3O3S/c1-10(19)17-14(9-13(16-17)15-6-3-7-22-15)11-4-2-5-12(8-11)18(20)21/h2-8,14H,9H2,1H3
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n/an/an/an/a 2.04E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48090
PNG
((5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
Show InChI InChI=1S/C22H19N3O4S2/c1-13-19(21(28)25(23(13)2)15-7-5-4-6-8-15)24-20(27)18(31-22(24)30)12-14-9-10-16(26)17(11-14)29-3/h4-12,26H,1-3H3/b18-12+
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n/an/an/an/a 1.31E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48099
PNG
(2-[(5Z)-5-(3-ethoxy-4-hydroxy-benzylidene)-4-keto-...)
Show SMILES CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C20H17NO5S2/c1-2-26-15-10-12(8-9-14(15)22)11-16-18(23)21(20(27)28-16)17(19(24)25)13-6-4-3-5-7-13/h3-11,17,22H,2H2,1H3,(H,24,25)/b16-11-
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n/an/an/an/a 1.44E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48100
PNG
(MLS000737026 | N-[(Z)-(4-methyl-5-phenyldiazenyl-2...)
Show SMILES Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1
Show InChI InChI=1S/C16H14N6/c1-12-15(21-19-13-8-4-2-5-9-13)18-16(17-12)22-20-14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
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n/an/an/an/a 1.75E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48102
PNG
(3-methoxy-N-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)...)
Show SMILES COc1cc(\C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C19H16N2O6S2/c1-26-14-7-10(3-5-12(14)22)8-16-18(25)21(19(28)29-16)20-17(24)11-4-6-13(23)15(9-11)27-2/h3-9,22-23H,1-2H3,(H,20,24)/b16-8-
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n/an/an/an/a 1.03E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48103
PNG
(1-benzyl-3-(2-methyl-5-methylsulfinyl-phenyl)-7H-p...)
Show SMILES Cc1ccc(cc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O)S(C)=O
Show InChI InChI=1S/C20H18N4O3S/c1-13-8-9-15(28(2)27)10-16(13)24-18-17(21-12-22-18)19(25)23(20(24)26)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 3.16E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48082
PNG
((4,5-Diphenyl-1H-imidazol-2-yl)-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)
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n/an/an/an/a 2.39E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48101
PNG
(1-benzyl-3-(5-methoxy-2-methyl-phenyl)-7H-purine-2...)
Show SMILES COc1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H18N4O3/c1-13-8-9-15(27-2)10-16(13)24-18-17(21-12-22-18)19(25)23(20(24)26)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 9.23E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48086
PNG
(6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1...)
Show SMILES COc1cc2C(NCC3(CCCC3)c2cc1OC)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H24N2O4/c1-26-18-11-16-17(12-19(18)27-2)21(8-3-4-9-21)13-22-20(16)14-6-5-7-15(10-14)23(24)25/h5-7,10-12,20,22H,3-4,8-9,13H2,1-2H3
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n/an/an/an/a 8.92E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48091
PNG
(2-[[[2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)m...)
Show SMILES CC1(C)CC(=O)C(=CNc2cccnc2NC=C2C(=O)CC(C)(C)CC2=O)C(=O)C1
Show InChI InChI=1S/C23H27N3O4/c1-22(2)8-17(27)14(18(28)9-22)12-25-16-6-5-7-24-21(16)26-13-15-19(29)10-23(3,4)11-20(15)30/h5-7,12-13,25H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.67E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48096
PNG
((4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl...)
Show SMILES CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C21H21N3O/c1-16-20(21(25)24(22-16)19-9-5-4-6-10-19)11-7-8-17-12-14-18(15-13-17)23(2)3/h4-15,22H,1H2,2-3H3
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n/an/an/an/a 7.93E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48092
PNG
((5E)-5-[(2-methoxy-5-methyl-phenyl)hydrazinylidene...)
Show SMILES COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C17H15N3O2/c1-11-5-8-16(22-2)14(10-11)20-19-13-6-7-15(21)17-12(13)4-3-9-18-17/h3-10,21H,1-2H3
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n/an/an/an/a 2.36E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48095
PNG
(MLS000713975 | N-[4-[(4-nitro-2,1,3-benzoxadiazol-...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H11N5O6S/c1-8(20)18-26(23,24)10-4-2-9(3-5-10)15-11-6-7-12(19(21)22)14-13(11)16-25-17-14/h2-7,15H,1H3,(H,18,20)
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n/an/an/an/a 1.82E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48104
PNG
(3-(1-benzyl-2,6-diketo-7H-purin-3-yl)-4-methyl-ben...)
Show SMILES COC(=O)c1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H18N4O4/c1-13-8-9-15(20(27)29-2)10-16(13)25-18-17(22-12-23-18)19(26)24(21(25)28)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)
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n/an/an/an/a 1.15E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48105
PNG
((7E)-7-[(3-methoxyphenyl)hydrazinylidene]-8-quinol...)
Show SMILES COc1cccc(c1)N=Nc1ccc2cccnc2c1O
Show InChI InChI=1S/C16H13N3O2/c1-21-13-6-2-5-12(10-13)18-19-14-8-7-11-4-3-9-17-15(11)16(14)20/h2-10,20H,1H3
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n/an/an/an/a 2.20E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48083
PNG
((5E)-5-(o-tolylhydrazono)quinolin-8-one | (5E)-5-[...)
Show SMILES Cc1ccccc1N=Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C16H13N3O/c1-11-5-2-3-7-13(11)18-19-14-8-9-15(20)16-12(14)6-4-10-17-16/h2-10,20H,1H3
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n/an/an/an/a 3.01E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48080
PNG
((1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenon...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1ccccn1
Show InChI InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
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n/an/an/an/a 2.57E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48085
PNG
((4E)-4-[(2E,4E)-5-(dimethylamino)penta-2,4-dienyli...)
Show SMILES CN(C)\C=C\C=CC=c1c(=C)[nH]n(-c2ccccc2)c1=O
Show InChI InChI=1S/C17H19N3O/c1-14-16(12-8-5-9-13-19(2)3)17(21)20(18-14)15-10-6-4-7-11-15/h4-13,18H,1H2,2-3H3/b8-5?,13-9+,16-12?
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n/an/an/an/a 1.48E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM44525
PNG
((2E)-2-(2-pyridinylhydrazinylidene)-1-naphthalenon...)
Show SMILES Oc1c(ccc2ccccc12)N=Nc1ccccn1
Show InChI InChI=1S/C15H11N3O/c19-15-12-6-2-1-5-11(12)8-9-13(15)17-18-14-7-3-4-10-16-14/h1-10,19H
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n/an/an/an/a 1.45E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48084
PNG
(4-(2,4-Dinitro-naphthalen-1-ylamino)-N-o-tolyl-ben...)
Show SMILES Cc1ccccc1NC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3ccccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H18N4O5/c1-15-6-2-5-9-20(15)26-24(29)16-10-12-17(13-11-16)25-23-19-8-4-3-7-18(19)21(27(30)31)14-22(23)28(32)33/h2-14,25H,1H3,(H,26,29)
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n/an/an/an/a 1.13E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
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n/an/an/an/a 1.67E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48079
PNG
(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[(3,...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCn2c1nc1ccccc21
Show InChI InChI=1S/C20H24N6O3S/c1-13-18(14(2)23-22-13)30(28,29)24-9-7-15(8-10-24)19(27)26-12-11-25-17-6-4-3-5-16(17)21-20(25)26/h3-6,15H,7-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 1.42E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48089
PNG
((5E)-5-(4-hydroxybenzylidene)-3-(3-pyridyl)-2-thio...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(C2=O)c2cccnc2)cc1
Show InChI InChI=1S/C15H10N2O2S2/c18-12-5-3-10(4-6-12)8-13-14(19)17(15(20)21-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
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n/an/an/an/a 1.47E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48093
PNG
(4-[7-(4-fluorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyr...)
Show SMILES CC1CN(CC(C)O1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O/c1-16-12-28(13-17(2)30-16)23-22-21(18-6-4-3-5-7-18)14-29(24(22)27-15-26-23)20-10-8-19(25)9-11-20/h3-11,14-17H,12-13H2,1-2H3
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n/an/an/an/a 3.03E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48097
PNG
((8E)-8-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinyl...)
Show SMILES Oc1ccc(N=Nc2ccc3OCCOc3c2)c2ncccc12
Show InChI InChI=1S/C17H13N3O3/c21-14-5-4-13(17-12(14)2-1-7-18-17)20-19-11-3-6-15-16(10-11)23-9-8-22-15/h1-7,10,21H,8-9H2
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n/an/an/an/a 2.53E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48087
PNG
(3-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-...)
Show SMILES COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O
Show InChI InChI=1S/C19H19NO5S2/c1-25-17-13-14(7-9-16(17)21)8-10-19-20(11-4-12-27(22,23)24)15-5-2-3-6-18(15)26-19/h2-3,5-10,13H,4,11-12H2,1H3,(H,22,23,24)
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n/an/an/an/a 1.41E+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 (2009)


BindingDB Entry DOI: 10.7270/Q24X5667
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%