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Compile Data Set for Download or QSAR

Found 340 hits of affinity data for UniProtKB/TrEMBL: Q8VNN2   
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)
BDBM50140062
PNG
(CHEMBL3359672)
Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C14H20N2O4/c1-8-2-4-9(5-3-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140061
PNG
(CHEMBL3752112)
Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1
Show InChI InChI=1S/C14H20N2O3/c1-9-2-4-10(5-3-9)7-15-13-6-12(18)14(19)11(8-17)16-13/h2-5,11-12,14,17-19H,6-8H2,1H3,(H,15,16)/t11-,12-,14+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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31n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140059
PNG
(CHEMBL3753015)
Show SMILES CO[C@H]1[C@@H](CO)N=C(NCc2ccc(C)cc2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-13(20)12(19)14(21-2)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12-,13-,14+/m1/s1
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32n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140060
PNG
(CHEMBL3754250)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N=C1NCc1ccc(C)cc1
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-14(21-2)13(20)12(19)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12+,13+,14-/m1/s1
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42n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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49n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1
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280n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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7.40E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant (Competitive) of the compound against Beta-galactosidase from Escherichia coli


Bioorg Med Chem Lett 12: 2335-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00397-9
BindingDB Entry DOI: 10.7270/Q2GB23CB
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50306549
PNG
((2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-phenyl-1H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
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3.30E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase at 1 mM


Bioorg Med Chem Lett 20: 4263-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.151
BindingDB Entry DOI: 10.7270/Q26D5V70
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279833
PNG
((2R,3R,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5-/m1/s1
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1.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279832
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-tetrahydro-pyran-3,4...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m0/s1
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7.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279835
PNG
((2R,3S,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1
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5.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279834
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol |...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
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7.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279836
PNG
((3R,4R)-Tetrahydro-furan-3,4-diol | CHEMBL350524)
Show SMILES O[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
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7.70E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279837
PNG
((3S,4R,5R)-Tetrahydro-pyran-3,4,5-triol | CHEMBL16...)
Show SMILES O[C@H]1COC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5+
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8.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM51176
PNG
(6-nitro-2-(3-pyridinylmethyl)benzo[de]isoquinoline...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(Cc3cccnc3)C(=O)c3cccc1c23
Show InChI InChI=1S/C18H11N3O4/c22-17-13-5-1-4-12-15(21(24)25)7-6-14(16(12)13)18(23)20(17)10-11-3-2-8-19-9-11/h1-9H,10H2
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n/an/a 1.68E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM77587
PNG
(4-[2-[(E)-3-(5-nitro-2-furanyl)prop-2-enylidene]hy...)
Show SMILES OC(=O)c1ccc(cc1)N=NC=CCc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c18-14(19)10-3-5-11(6-4-10)16-15-9-1-2-12-7-8-13(22-12)17(20)21/h1,3-9H,2H2,(H,18,19)
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n/an/a 3.30E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48878
PNG
(4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]methylene}-2...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1
Show InChI InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
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n/an/a 3.38E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48027
PNG
(4-[[(4E)-1-keto-4-mesitylsulfonylimino-2-naphthyl]...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C26H22N2O5S/c1-15-12-16(2)25(17(3)13-15)34(32,33)28-22-14-23(24(29)21-7-5-4-6-20(21)22)27-19-10-8-18(9-11-19)26(30)31/h4-14,27H,1-3H3,(H,30,31)
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n/an/a 3.61E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 4.08E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM51865
PNG
(3-(2-furanyl)-5-[(E)-2-(5-nitro-2-furanyl)ethenyl]...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1
Show InChI InChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-12,17H,13H2
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n/an/a 4.10E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 4.13E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM71432
PNG
((NE)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H18N2O5S/c1-30-17-10-12-18(13-11-17)31(28,29)25-21-14-22(24-15-6-8-16(26)9-7-15)23(27)20-5-3-2-4-19(20)21/h2-14,24,26H,1H3
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n/an/a 4.30E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48039
PNG
(3-[[(4E)-4-(2,4-dimethylphenyl)sulfonylimino-1-ket...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)
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n/an/a 4.35E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM80059
PNG
((6E)-6-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]...)
Show SMILES [O-][N+](=O)c1ccc(N=[NH+]C[c-]2ccccc2=O)nc1
Show InChI InChI=1S/C12H9N4O3/c17-11-4-2-1-3-9(11)7-14-15-12-6-5-10(8-13-12)16(18)19/h1-6,8H,7H2/q-1/p+1
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n/an/a 4.60E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM51788
PNG
(5-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydra...)
Show SMILES Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12
Show InChI InChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)
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n/an/a 4.63E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM70782
PNG
((NZ)-N-[4-keto-3-(p-toluidino)-1-naphthylidene]thi...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H16N2O3S2/c1-14-8-10-15(11-9-14)22-19-13-18(16-5-2-3-6-17(16)21(19)24)23-28(25,26)20-7-4-12-27-20/h2-13,22H,1H3
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n/an/a 5.08E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79968
PNG
((2Z)-2-[(4-pyridylmethylamino)methylene]benzothiop...)
Show SMILES Oc1c(C=NCc2ccncc2)sc2ccccc12
Show InChI InChI=1S/C15H12N2OS/c18-15-12-3-1-2-4-13(12)19-14(15)10-17-9-11-5-7-16-8-6-11/h1-8,10,18H,9H2
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM37382
PNG
((1-methylbenzimidazol-2-yl)-(1-propylbenzimidazol-...)
Show SMILES CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Show InChI InChI=1S/C18H19N5/c1-3-12-23-16-11-7-5-9-14(16)20-18(23)21-17-19-13-8-4-6-10-15(13)22(17)2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
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n/an/a>6.66E+4n/an/an/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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM60214
PNG
(4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM60216
PNG
(4-chloranyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-...)
Show SMILES Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H12ClN3O2/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21)
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM37726
PNG
(1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-me...)
Show SMILES COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-7-12(8(2)18)21-13(15-7)17-14-16-10-5-4-9(19-3)6-11(10)20-14/h4-6H,1-3H3,(H,15,16,17)
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM56999
PNG
((4-fluoro-1,3-benzothiazol-2-yl)-[5-(2-furyl)-1,3,...)
Show SMILES Fc1cccc2sc(Nc3nnc(o3)-c3ccco3)nc12
Show InChI InChI=1S/C13H7FN4O2S/c14-7-3-1-5-9-10(7)15-13(21-9)16-12-18-17-11(20-12)8-4-2-6-19-8/h1-6H,(H,15,16,18)
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79969
PNG
(3-[[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H...)
Show SMILES Oc1cc(Sc2nnc(o2)-c2ccccc2O)c(O)n1-c1ccccc1
Show InChI InChI=1S/C18H13N3O4S/c22-13-9-5-4-8-12(13)16-19-20-18(25-16)26-14-10-15(23)21(17(14)24)11-6-2-1-3-7-11/h1-10,22-24H
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM43966
PNG
(1-(1H-benzimidazol-2-yl)-3-methyl-4-phenyl-1H-pyra...)
Show SMILES Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79970
PNG
(3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrr...)
Show SMILES Oc1cc(Sc2nnnn2C2CCCCC2)c(O)n1-c1ccccc1
Show InChI InChI=1S/C17H19N5O2S/c23-15-11-14(16(24)21(15)12-7-3-1-4-8-12)25-17-18-19-20-22(17)13-9-5-2-6-10-13/h1,3-4,7-8,11,13,23-24H,2,5-6,9-10H2
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM34634
PNG
(4-hydroximino-1-piperidino-2-(piperidinomethyl)pen...)
Show SMILES CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1
Show InChI InChI=1S/C16H29N3O2/c1-14(17-21)16(20)15(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h12,14,17,21H,2-11,13H2,1H3
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48177
PNG
(MLS000106138 | SMR000103108 | cid_3103803)
Show SMILES CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-12-14-29(15-13-28)19-26(32)30-16-17-31-24-11-10-21(20-6-3-2-4-7-20)18-23(24)22-8-5-9-25(30)27(22)31/h10-11,18,20,25H,2-9,12-17,19H2,1H3
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM78043
PNG
(1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-14-9-7-13(8-10-14)22-16(23)11-15(18(22)24)27-19-21-20-17(26-19)12-5-3-2-4-6-12/h2-11,23-24H,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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM43363
PNG
(2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin...)
Show SMILES ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O
Show InChI InChI=1S/C19H21Cl2N3O2S/c20-14-13(12-11-22-19(27-12)24-9-5-2-6-10-24)17(25)15(21)16(18(14)26)23-7-3-1-4-8-23/h11H,1-10H2
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79971
PNG
(2-(1-Butyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-1H-...)
Show SMILES CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(S2)C(=O)OC)C(=S)C1(C)C
Show InChI InChI=1S/C22H23NO5S3/c1-6-9-14(24)23-13-11-8-7-10-12(13)15(18(29)22(23,2)3)21-30-16(19(25)27-4)17(31-21)20(26)28-5/h7-8,10-11H,6,9H2,1-5H3
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79972
PNG
(1-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronap...)
Show SMILES CC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(N)=S
Show InChI InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM64560
PNG
((5,7-dichloroquinolin-8-yl) furan-2-carboxylate | ...)
Show SMILES Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM78582
PNG
(11-Cyclohexyl-1,2,3,3a,4,5,6,7-octahydro-[1,4]diaz...)
Show SMILES Cl.C1CCC(CC1)c1ccc2n3CCCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C21H28N2.ClH/c1-2-6-15(7-3-1)16-10-11-20-18(14-16)17-8-4-9-19-21(17)23(20)13-5-12-22-19;/h10-11,14-15,19,22H,1-9,12-13H2;1H
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM33451
PNG
((5-chloranylquinolin-8-yl) furan-2-carboxylate | (...)
Show SMILES Clc1ccc(OC(=O)c2ccco2)c2ncccc12
Show InChI InChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM41816
PNG
((NE)-N-[3-(2,4-dimethylanilino)-4-keto-1-naphthyli...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1
Show InChI InChI=1S/C22H18N2O3S2/c1-14-9-10-18(15(2)12-14)23-20-13-19(16-6-3-4-7-17(16)22(20)25)24-29(26,27)21-8-5-11-28-21/h3-13,23H,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/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79973
PNG
(1-phenyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,...)
Show SMILES O=C(N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N)c1ccccc1
Show InChI InChI=1S/C27H26N4O/c28-19-24-22-13-7-8-14-23(22)25(20-9-3-1-4-10-20)29-26(24)30-15-17-31(18-16-30)27(32)21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-18H2
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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/Q2NG4P4X
More data for this
Ligand-Target Pair
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