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PubChem AID 504712

Compile Data Set for Download or QSAR

Found 283 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)		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 |w:9.9,12.13|
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 |c:31|
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 |w:12.12,t:15|
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

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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)		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

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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)		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 |w:8.8,c:18|
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

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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)		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 |w:11.11,t:14|
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

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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)		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 |w:11.11,t:14|
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

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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)		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 |w:11.11,t:14|
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

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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)		BDBM80059
PNG
((6E)-6-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]...)
Show SMILES [O-][N+](=O)c1ccc(N=[NH+]C[c-]2ccccc2=O)nc1 |w:7.6|
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 |w:6.6|
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

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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)		BDBM70782
PNG
((NZ)-N-[4-keto-3-(p-toluidino)-1-naphthylidene]thi...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
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

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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)		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

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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)		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 |c:9,t:20|
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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n/an/a>6.66E+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)		BDBM79974
PNG
(10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5....)
Show SMILES [H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7]-[#6]-3=O)\[#6]2=[#6](/c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1 |c:2,TLB:11:6:13:2.3,THB:8:7:13:2.3|
Show InChI InChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
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Burnham Center for Chemical Genomics

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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)		BDBM33083
PNG
(1,4-diketo-3-p-anisyl-naphthalene-2-carboxylic aci...)
Show SMILES CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|
Show InChI InChI=1S/C21H18O5/c1-3-26-21(24)18-17(12-13-8-10-14(25-2)11-9-13)19(22)15-6-4-5-7-16(15)20(18)23/h4-11H,3,12H2,1-2H3
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM79978
PNG
(1-[4-(1-adamantyl)butan-2-ylideneamino]thiourea | ...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CCC(C)=NNC(N)=S)(C2)C3 |w:15.16,TLB:8:1:21:6.9.5,8:6:21:1.20.2,THB:5:6:20:3.21.2|
Show InChI InChI=1S/C15H25N3S/c1-10(17-18-14(16)19)2-3-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H3,16,18,19)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM79985
PNG
(1-(3-methylphenyl)-3-[(5-nitro-2-thiophenyl)methyl...)
Show SMILES Cc1cccc(NC(=S)NN=Cc2ccc(s2)[N+]([O-])=O)c1 |w:10.9|
Show InChI InChI=1S/C13H12N4O2S2/c1-9-3-2-4-10(7-9)15-13(20)16-14-8-11-5-6-12(21-11)17(18)19/h2-8H,1H3,(H2,15,16,20)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM65879
PNG
(2-(dimethylcarbamoylthiocarbamoylamino)-4-(5-methy...)
Show SMILES CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)scc1-c1ccc(C)o1
Show InChI InChI=1S/C16H19N3O4S2/c1-5-22-14(20)12-10(11-7-6-9(2)23-11)8-25-13(12)17-15(24)18-16(21)19(3)4/h6-8H,5H2,1-4H3,(H2,17,18,21,24)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM51326
PNG
(1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)su...)
Show SMILES Cc1cc(C)cc(c1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
Show InChI InChI=1S/C19H17N5O2S/c1-12-8-13(2)10-15(9-12)23-17(25)11-16(18(23)26)27-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-11,25-26H,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)		BDBM55517
PNG
(2-[[4-(4-chlorobenzyl)oxybenzylidene]amino]guanidi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|
Show InChI InChI=1S/C15H15ClN4O/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM57489
PNG
(3-methoxy-N-({4-[2-nitro-4-(trifluoromethyl)phenyl...)
Show SMILES COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O4S/c1-31-15-4-2-3-13(11-15)18(28)24-19(32)26-9-7-25(8-10-26)16-6-5-14(20(21,22)23)12-17(16)27(29)30/h2-6,11-12H,7-10H2,1H3,(H,24,28,32)
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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)		BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
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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)		BDBM48729
PNG
(4-Methyl-N-[4-oxo-3-(2H-[1,2,4]triazol-3-ylsulfany...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
Show InChI InChI=1S/C19H14N4O3S2/c1-12-6-8-13(9-7-12)28(25,26)23-16-10-17(27-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11H,1H3,(H,20,21,22)
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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)		BDBM79997
PNG
(1,3,5-Trimethyl-2,6-diphenyl-4-phenylethynyl-piper...)
Show SMILES CC1C(N(C)C(C(C)C1(O)C#Cc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM80000
PNG
(MLS000591306 | N'-[(1,3-diethyl-4,6-diketo-2-thiox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7](-[#6]-[#6])-[#6](=S)-[#7](-[#6]-[#6])-[#6]-1=O
Show InChI InChI=1S/C14H22N4O3S/c1-4-7-8-11(19)16-15-9-10-12(20)17(5-2)14(22)18(6-3)13(10)21/h9,15H,4-8H2,1-3H3,(H,16,19)
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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)		BDBM80006
PNG
(2,5-diphenyl-N'-(phenylcarbonyl)pyrazole-3-carbohy...)
Show SMILES O=C(NNC(=O)c1ccccc1)c1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
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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)		BDBM80009
PNG
((E)-N-(4-chlorobenzyl)-2-cyano-3-(3-nitrophenyl)ac...)
Show SMILES [O-][N+](=O)c1cccc(\C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H12ClN3O3/c18-15-6-4-12(5-7-15)11-20-17(22)14(10-19)8-13-2-1-3-16(9-13)21(23)24/h1-9H,11H2,(H,20,22)/b14-8+
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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)		BDBM70948
PNG
(1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-2-...)
Show SMILES COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
Show InChI InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
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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)		BDBM64660
PNG
(MLS000705485 | N-[(4-methylphenyl)-(5-nitro-8-oxid...)
Show SMILES CC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C19H17N3O4/c1-11-5-7-13(8-6-11)17(21-12(2)23)15-10-16(22(25)26)14-4-3-9-20-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,21,23)
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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)		BDBM46960
PNG
(2-azanylidene-3-[5-[(2-chlorophenyl)methyl]-1,3-th...)
Show SMILES Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
Show InChI InChI=1S/C13H10ClN3OS2/c14-10-4-2-1-3-8(10)5-9-6-16-13(20-9)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
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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)		BDBM63623
PNG
(MLS000709318 | N-[(Z)-1-[5-(4-bromophenyl)-2-furan...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H28BrN3O3/c1-18-5-7-20(8-6-18)25(31)29-23(26(32)28-15-4-16-30(2)3)17-22-13-14-24(33-22)19-9-11-21(27)12-10-19/h5-14,17H,4,15-16H2,1-3H3,(H,28,32)(H,29,31)/b23-17-
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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)		BDBM80023
PNG
(2-[2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]ox...)
Show SMILES CCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
Show InChI InChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM80026
PNG
(3-(4-chlorophenyl)-2,5-dimethyl-N-(2-pyridinylmeth...)
Show SMILES Cc1nn2c(NCc3ccccn3)cc(C)nc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN5/c1-13-11-18(23-12-17-5-3-4-10-22-17)26-20(24-13)19(14(2)25-26)15-6-8-16(21)9-7-15/h3-11,23H,12H2,1-2H3
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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)		BDBM80028
PNG
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbo...)
Show SMILES Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccco1
Show InChI InChI=1S/C24H26N4O3S/c1-16-19-13-20(32-23(19)28(26-16)17-9-6-5-7-10-17)22(30)27(14-18-11-8-12-31-18)15-21(29)25-24(2,3)4/h5-13H,14-15H2,1-4H3,(H,25,29)
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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)		BDBM80029
PNG
(6-[2-(2-methoxyethylimino)-3-[1-(4-oxidanylidenecy...)
Show SMILES COCCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C(C)c1ccc(O)cc1 |w:21.23,4.3|
Show InChI InChI=1S/C22H22N4O4S/c1-14(15-3-6-17(27)7-4-15)25-26-19(13-31-22(26)23-9-10-29-2)16-5-8-20-18(11-16)24-21(28)12-30-20/h3-8,11,13,27H,9-10,12H2,1-2H3,(H,24,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM80033
PNG
(MLS000563519 | Machaerogenin | SMR000470880 | cid_...)
Show SMILES [H][C@]12C[C@@]3(CC[C@]4(C)C(=CCC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]45C)[C@]3([H])C[C@@]1(C)CO)C(=O)O2 |c:8|
Show InChI InChI=1S/C30H46O4/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23-16-30(19,24(33)34-23)14-13-28(18,29)5/h7,19-23,31-32H,8-17H2,1-6H3/t19-,20?,21?,22-,23-,26-,27-,28+,29+,30+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM80034
PNG
(MLS001180103 | N-[(p-toluoylamino)thiocarbamoyl]be...)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c1-11-7-9-13(10-8-11)15(21)18-19-16(22)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,21)(H2,17,19,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM80043
PNG
(MLS000948413 | N,4-diphenyl-5-[(E)-2-phenylethenyl...)
Show SMILES N(c1n[n+](c(\C=C\c2ccccc2)s1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N3S/c1-4-10-18(11-5-1)16-17-21-25(20-14-8-3-9-15-20)24-22(26-21)23-19-12-6-2-7-13-19/h1-17H,(H,23,24)/q+1/b17-16+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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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)		BDBM51930
PNG
((2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phe...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
Show InChI InChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1
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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)		BDBM51789
PNG
(2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
Show InChI InChI=1S/C21H16BrN3O6S3/c22-12-4-3-5-13(10-12)23-16(26)11-25-15-7-2-1-6-14(15)17(19(25)27)18-20(28)24(21(32)33-18)8-9-34(29,30)31/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30,31)/b18-17-
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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)		BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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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)		BDBM80058
PNG
(2-chloranyl-3-(2-phenylethylamino)naphthalene-1,4-...)
Show SMILES Oc1c(Cl)c(N=CCc2ccccc2)c(O)c2ccccc12 |w:5.4|
Show InChI InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,11,21-22H,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)		BDBM70339
PNG
(2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-piperazi...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
Show InChI InChI=1S/C26H39N3O2/c1-25(2,3)21-16-20(17-22(24(21)31)26(4,5)6)23(19-8-7-9-27-18-19)29-12-10-28(11-13-29)14-15-30/h7-9,16-18,23,30-31H,10-15H2,1-6H3
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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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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)		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 |w:9.9,t:6|
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)		BDBM79976
PNG
(MLS000534304 | N-[(2-methyl-4-nitro-phenyl)carbamo...)
Show SMILES Cc1cc(ccc1NC(=S)NC(=O)Cc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-9-13(19(21)22)7-8-14(11)17-16(23)18-15(20)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,20,23)
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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)		BDBM57399
PNG
(2-[2-ethoxy-4-(2-nitrovinyl)phenoxy]-N-(2-methylph...)
Show SMILES CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
Show InChI InChI=1S/C19H20N2O5/c1-3-25-18-12-15(10-11-21(23)24)8-9-17(18)26-13-19(22)20-16-7-5-4-6-14(16)2/h4-12H,3,13H2,1-2H3,(H,20,22)/b11-10-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)		BDBM79990
PNG
(2-(pentanoylcarbamothioylamino)-N-phenyl-benzamide...)
Show SMILES CCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-3-13-17(23)22-19(25)21-16-12-8-7-11-15(16)18(24)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,20,24)(H2,21,22,23,25)
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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
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* indicates data uncertainty>20%