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Compile Data Set for Download or QSAR

Found 20 hits of ki data for polymerid = 50006275   
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)
BDBM50481214
PNG
(CHEMBL593646)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2CO[C@@H](OCc3ccccc3)[C@@H](O)C2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26O8S/c19-7-13-14(21)15(22)16(23)18(26-13)27-11-6-12(20)17(25-9-11)24-8-10-4-2-1-3-5-10/h1-5,11-23H,6-9H2/t11-,12-,13+,14-,15-,16+,17+,18-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase by Lineweaver-Burke plot analysis


Bioorg Med Chem 17: 6203-12 (2009)

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)
BDBM50481217
PNG
(CHEMBL596003)
Show SMILES CC(C)O[C@H]1O[C@H](CO)[C@@H](C[C@@H]1O)S[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H26O8S/c1-6(2)21-13-7(16)3-10(9(4-15)22-13)23-14-12(19)11(18)8(17)5-20-14/h6-19H,3-5H2,1-2H3/t7-,8+,9+,10+,11-,12+,13-,14-/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase by Lineweaver-Burke plot analysis


Bioorg Med Chem 17: 6203-12 (2009)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50481216
PNG
(CHEMBL596230)
Show SMILES CC(C)O[C@H]1O[C@H](CO)[C@@H](C[C@H]1O)S[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H26O8S/c1-6(2)21-13-7(16)3-10(9(4-15)22-13)23-14-12(19)11(18)8(17)5-20-14/h6-19H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12-,13+,14+/m1/s1
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1.60E+5n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase by Lineweaver-Burke plot analysis


Bioorg Med Chem 17: 6203-12 (2009)

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)
BDBM50481215
PNG
(CHEMBL594698)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2CO[C@@H](OCc3ccccc3)[C@H](O)C2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26O8S/c19-7-13-14(21)15(22)16(23)18(26-13)27-11-6-12(20)17(25-9-11)24-8-10-4-2-1-3-5-10/h1-5,11-23H,6-9H2/t11-,12+,13+,14-,15-,16+,17+,18-/m0/s1
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8.00E+5n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase by Lineweaver-Burke plot analysis


Bioorg Med Chem 17: 6203-12 (2009)

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