Compile Data Set for Download or QSAR

Found 39 hits of ec50 data for polymerid = 50006275   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-galactosidase (Escherichia coli)	BDBM48091 (2-[[[2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)m...) Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2cccnc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-[#6]1 Show InChI InChI=1S/C23H27N3O4/c1-22(2)8-17(27)14(18(28)9-22)12-25-16-6-5-7-24-21(16)26-13-15-19(29)10-23(3,4)11-20(15)30/h5-7,12-13,25H,8-11H2,1-4H3,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48093 (4-[7-(4-fluorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyr...) Show SMILES CC1CN(CC(C)O1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN4O/c1-16-12-28(13-17(2)30-16)23-22-21(18-6-4-3-5-7-18)14-29(24(22)27-15-26-23)20-10-8-19(25)9-11-20/h3-11,14-17H,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48103 (1-benzyl-3-(2-methyl-5-methylsulfinyl-phenyl)-7H-p...) Show SMILES Cc1ccc(cc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O)S(C)=O |(9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,;4.41,5.39,;4.41,6.93,;3.08,4.62,)| Show InChI InChI=1S/C20H18N4O3S/c1-13-8-9-15(28(2)27)10-16(13)24-18-17(21-12-22-18)19(25)23(20(24)26)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48096 ((4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl...) Show SMILES CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C21H21N3O/c1-16-20(21(25)24(22-16)19-9-5-4-6-10-19)11-7-8-17-12-14-18(15-13-17)23(2)3/h4-15,22H,1H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.93E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48086 (6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1...) Show SMILES COc1cc2C(NCC3(CCCC3)c2cc1OC)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H24N2O4/c1-26-18-11-16-17(12-19(18)27-2)21(8-3-4-9-21)13-22-20(16)14-6-5-7-15(10-14)23(24)25/h5-7,10-12,20,22H,3-4,8-9,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.92E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48101 (1-benzyl-3-(5-methoxy-2-methyl-phenyl)-7H-purine-2...) Show SMILES COc1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(4.41,6.93,;4.41,5.39,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;9.75,2.31,;7.08,2.31,;5.75,3.08,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,)| Show InChI InChI=1S/C20H18N4O3/c1-13-8-9-15(27-2)10-16(13)24-18-17(21-12-22-18)19(25)23(20(24)26)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.23E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48081 ((5Z)-3-anilino-2-thioxo-5-vanillylidene-thiazolidi...) Show SMILES COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1O Show InChI InChI=1S/C17H14N2O3S2/c1-22-14-9-11(7-8-13(14)20)10-15-16(21)19(17(23)24-15)18-12-5-3-2-4-6-12/h2-10,18,20H,1H3/b15-10-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.67E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48102 (3-methoxy-N-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)...) Show SMILES COc1cc(\C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O Show InChI InChI=1S/C19H16N2O6S2/c1-26-14-7-10(3-5-12(14)22)8-16-18(25)21(19(28)29-16)20-17(24)11-4-6-13(23)15(9-11)27-2/h3-9,22-23H,1-2H3,(H,20,24)/b16-8-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48084 (4-(2,4-Dinitro-naphthalen-1-ylamino)-N-o-tolyl-ben...) Show SMILES Cc1ccccc1NC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3ccccc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H18N4O5/c1-15-6-2-5-9-20(15)26-24(29)16-10-12-17(13-11-16)25-23-19-8-4-3-7-18(19)21(27(30)31)14-22(23)28(32)33/h2-14,25H,1H3,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48104 (3-(1-benzyl-2,6-diketo-7H-purin-3-yl)-4-methyl-ben...) Show SMILES COC(=O)c1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(3.08,7.32,;4.41,6.55,;4.41,5.01,;3.08,4.24,;5.75,4.24,;7.08,5.01,;8.41,4.24,;8.41,2.7,;9.75,1.93,;7.08,1.93,;5.75,2.7,;7.08,.39,;8.41,-.39,;9.87,.08,;10.77,-1.16,;9.87,-2.39,;8.41,-1.93,;7.08,-2.7,;7.08,-4.24,;5.75,-1.93,;4.41,-2.7,;4.41,-4.24,;3.08,-5.01,;3.08,-6.55,;4.41,-7.32,;5.75,-6.55,;5.75,-5.01,;5.75,-.39,;4.41,.39,)| Show InChI InChI=1S/C21H18N4O4/c1-13-8-9-15(20(27)29-2)10-16(13)25-18-17(22-12-23-18)19(26)24(21(25)28)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48090 ((5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...) Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O Show InChI InChI=1S/C22H19N3O4S2/c1-13-19(21(28)25(23(13)2)15-7-5-4-6-8-15)24-20(27)18(31-22(24)30)12-14-9-10-16(26)17(11-14)29-3/h4-12,26H,1-3H3/b18-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48087 (3-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-...) Show SMILES COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O Show InChI InChI=1S/C19H19NO5S2/c1-25-17-13-14(7-9-16(17)21)8-10-19-20(11-4-12-27(22,23)24)15-5-2-3-6-18(15)26-19/h2-3,5-10,13H,4,11-12H2,1H3,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48079 (1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[(3,...) Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCn2c1nc1ccccc21 Show InChI InChI=1S/C20H24N6O3S/c1-13-18(14(2)23-22-13)30(28,29)24-9-7-15(8-10-24)19(27)26-12-11-25-17-6-4-3-5-16(17)21-20(25)26/h3-6,15H,7-12H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48099 (2-[(5Z)-5-(3-ethoxy-4-hydroxy-benzylidene)-4-keto-...) Show SMILES CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O Show InChI InChI=1S/C20H17NO5S2/c1-2-26-15-10-12(8-9-14(15)22)11-16-18(23)21(20(27)28-16)17(19(24)25)13-6-4-3-5-7-13/h3-11,17,22H,2H2,1H3,(H,24,25)/b16-11-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM44525 ((2E)-2-(2-pyridinylhydrazinylidene)-1-naphthalenon...) Show SMILES Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12| Show InChI InChI=1S/C15H11N3O/c19-15-12-6-2-1-5-11(12)8-9-13(15)17-18-14-7-3-4-10-16-14/h1-10,19H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48089 ((5E)-5-(4-hydroxybenzylidene)-3-(3-pyridyl)-2-thio...) Show SMILES Oc1ccc(\C=C2\SC(=S)N(C2=O)c2cccnc2)cc1 Show InChI InChI=1S/C15H10N2O2S2/c18-12-5-3-10(4-6-12)8-13-14(19)17(15(20)21-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48085 ((4E)-4-[(2E,4E)-5-(dimethylamino)penta-2,4-dienyli...) Show SMILES CN(C)\C=C\C=CC=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:7.6,5.4| Show InChI InChI=1S/C17H19N3O/c1-14-16(12-8-5-9-13-19(2)3)17(21)20(18-14)15-10-6-4-7-11-15/h4-13,18H,1H2,2-3H3/b8-5?,13-9+,16-12?	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM52656 (1-[5-acetyl-3-methyl-6-(3-nitrophenyl)-5H-[1,2,4]t...) Show SMILES CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15| Show InChI InChI=1S/C15H13N5O4S/c1-8(21)14-13(11-5-4-6-12(7-11)20(23)24)19(10(3)22)18-9(2)16-17-15(18)25-14/h4-7H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48094 ((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...) Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM52665 (1-(5-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3...) Show SMILES CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C15H14N4O2S/c1-9(20)14-13(12-7-5-4-6-8-12)19(11(3)21)18-10(2)16-17-15(18)22-14/h4-8H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48100 (MLS000737026 | N-[(Z)-(4-methyl-5-phenyldiazenyl-2...) Show SMILES Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1 |w:5.5,14.15| Show InChI InChI=1S/C16H14N6/c1-12-15(21-19-13-8-4-2-5-9-13)18-16(17-12)22-20-14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48095 (MLS000713975 | N-[4-[(4-nitro-2,1,3-benzoxadiazol-...) Show SMILES CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1 Show InChI InChI=1S/C14H11N5O6S/c1-8(20)18-26(23,24)10-4-2-9(3-5-10)15-11-6-7-12(19(21)22)14-13(11)16-25-17-14/h2-7,15H,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67390 (2-[(2S,6R,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13...) Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17| Show InChI InChI=1S/C35H39FN2O5/c36-31-18-16-26(17-19-31)22-30-15-9-3-8-14-29(23-33(40)38(20-21-39)25-27-10-4-1-5-11-27)34(41)37-24-32(43-35(30)42)28-12-6-2-7-13-28/h1-8,10-13,16-19,29-30,32,39H,9,14-15,20-25H2,(H,37,41)/b8-3+/t29-,30-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48088 (1-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropy...) Show SMILES CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccs1 |c:4| Show InChI InChI=1S/C15H13N3O3S/c1-10(19)17-14(9-13(16-17)15-6-3-7-22-15)11-4-2-5-12(8-11)18(20)21/h2-8,14H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48105 ((7E)-7-[(3-methoxyphenyl)hydrazinylidene]-8-quinol...) Show SMILES COc1cccc(c1)N=Nc1ccc2cccnc2c1O |w:8.8| Show InChI InChI=1S/C16H13N3O2/c1-21-13-6-2-5-12(10-13)18-19-14-8-7-11-4-3-9-17-15(11)16(14)20/h2-10,20H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48092 ((5E)-5-[(2-methoxy-5-methyl-phenyl)hydrazinylidene...) Show SMILES COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12 |w:9.9| Show InChI InChI=1S/C17H15N3O2/c1-11-5-8-16(22-2)14(10-11)20-19-13-6-7-15(21)17-12(13)4-3-9-18-17/h3-10,21H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48082 ((4,5-Diphenyl-1H-imidazol-2-yl)-(2-methoxy-phenyl)...) Show SMILES COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8| Show InChI InChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48098 ((5E)-5-[(4-methoxyphenyl)hydrazinylidene]-8-quinol...) Show SMILES COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:8.8| Show InChI InChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67287 (MLS000770828 | N-(2-chloranyl-5-nitro-phenyl)-2-(d...) Show SMILES CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H17ClN4O2S2/c1-4-19(5-2)15-17-9(3)13(24-15)14(23)18-12-8-10(20(21)22)6-7-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48097 ((8E)-8-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinyl...) Show SMILES Oc1ccc(N=Nc2ccc3OCCOc3c2)c2ncccc12 |w:6.6| Show InChI InChI=1S/C17H13N3O3/c21-14-5-4-13(17-12(14)2-1-7-18-17)20-19-11-3-6-15-16(10-11)23-9-8-22-15/h1-7,10,21H,8-9H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.53E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48080 ((1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenon...) Show SMILES Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12| Show InChI InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67169 (4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-ni...) Show SMILES COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48083 ((5E)-5-(o-tolylhydrazono)quinolin-8-one | (5E)-5-[...) Show SMILES Cc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:7.7| Show InChI InChI=1S/C16H13N3O/c1-11-5-2-3-7-13(11)18-19-14-8-9-15(20)16-12(14)6-4-10-17-16/h2-10,20H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24X5667
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67286 (1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)e...) Show SMILES CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48833 ((5Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...) Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-6-9(5-12(15(13)21)20(24)25)7-14-16(22)19(17(23)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67308 (4-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylanilin...) Show SMILES Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1 Show InChI InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(10-17(18)19)20-14-8-6-13(16)7-9-14/h2-9,15H,10,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67184 (1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propano...) Show SMILES CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C Show InChI InChI=1S/C13H22BrN5OS/c1-8(2)7-15-13(21)17-16-11(20)5-6-19-10(4)12(14)9(3)18-19/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67160 (2-Methyl-5-oxo-4,7-di-thiophen-2-yl-1,4,5,6,7,8-he...) Show SMILES CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:27,t:13| Show InChI InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-14-10-13(16-6-4-8-26-16)11-15(23)19(14)20(18)17-7-5-9-27-17/h4-9,13,18,20H,3,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.93E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM67192 (2-(3-anilino-5-keto-1-phenyl-2-pyrazolin-4-ylidene...) Show SMILES CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15| Show InChI InChI=1S/C30H27N5O2S/c1-30(2)21-17-11-12-18-22(21)33(3)25(30)24-28(37)34(4)29(38-24)23-26(31-19-13-7-5-8-14-19)32-35(27(23)36)20-15-9-6-10-16-20/h5-18H,1-4H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/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 (2010) BindingDB Entry DOI: 10.7270/Q2SN07DK
					More data for this Ligand-Target Pair