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Compile Data Set for Download or QSAR

Found 358 hits of ic50 data for polymerid = 50000853,50004670,50006275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469239
PNG
(CHEMBL4284436)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1
Show InChI InChI=1S/C14H21NO3/c16-9-11-12(15-8-13(17)14(11)18)7-6-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/t11-,12+,13+,14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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n/an/a 125n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


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
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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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n/an/a 210n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


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


(Homo sapiens (Human))
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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n/an/a 240n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469237
PNG
(CHEMBL4281031)
Show SMILES C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO3/c1-4-5(3-9)7(11)6(10)2-8-4/h4-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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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n/an/a 2.42E+3n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


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


(Homo sapiens (Human))
BDBM50520992
PNG
(CHEMBL4438366)
Show SMILES CCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](O)CN1
Show InChI InChI=1S/C10H21NO3/c1-2-3-4-7-5-8(12)10(14)9(13)6-11-7/h7-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase (unknown origin)


Eur J Med Chem 162: 465-494 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.031
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50246569
PNG
(CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta galactosidase


Bioorg Med Chem 16: 10216-20 (2008)


Article DOI: 10.1016/j.bmc.2008.10.054
BindingDB Entry DOI: 10.7270/Q2DZ085J
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50075942
PNG
(CHEMBL165192 | N-[2,5-Dihydroxy-6-hydroxymethyl-4-...)
Show SMILES CC(=O)N[C@H]1C(O)O[C@H](C(O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7?,8-,9-,10-,11-,12-,13-,14+,15?/m1/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Concentration required to inhibit beta-galactosidase enzyme by 50% from jack bean was reported


Bioorg Med Chem Lett 9: 793-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00064-5
BindingDB Entry DOI: 10.7270/Q2K073FM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of compound against beta-Galactosidase from Jack beans


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


(Homo sapiens (Human))
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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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant (Competitive) of the compound against alpha-l-Fucosidase from Bovine epididymis


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


(Homo sapiens (Human))
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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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235815
PNG
(CHEMBL4099495)
Show SMILES CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50111607
PNG
(3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfa...)
Show SMILES Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
Show InChI InChI=1S/C16H7Cl3N4OS3/c17-8-2-4-12-11(6-8)20-15(25-12)27-16-23-22-14(26-16)21-13(24)7-1-3-9(18)10(19)5-7/h1-6H,(H,21,22,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
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


(Mus musculus)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of lactase in mouse intestinal input by glucose release assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
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


(Homo sapiens (Human))
BDBM50182798
PNG
((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of beta-galactosidase from aspergillus oryzae (sigma G 7256).


Bioorg Med Chem Lett 6: 553-558 (1996)


Article DOI: 10.1016/0960-894X(96)00068-6
BindingDB Entry DOI: 10.7270/Q2ZS2WHG
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


(Homo sapiens (Human))
BDBM50288855
PNG
(1-Butyl-piperidine-3,4,5-triol | CHEMBL152232)
Show SMILES CCCCN1CC(O)C(O)C(O)C1
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-7(11)9(13)8(12)6-10/h7-9,11-13H,2-6H2,1H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of beta-galactosidase from aspergillus oryzae (sigma G 7256).


Bioorg Med Chem Lett 6: 553-558 (1996)


Article DOI: 10.1016/0960-894X(96)00068-6
BindingDB Entry DOI: 10.7270/Q2ZS2WHG
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

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)
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


(Homo sapiens (Human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 5.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50403937
PNG
(CHEMBL2114149)
Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger was tested at a dose of 1 mM


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)
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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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)
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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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)
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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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)
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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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)
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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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)
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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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)
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
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