Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'cheng' and Initial = 'xr'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033887 (CHEMBL3358611) Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033944 (CHEMBL3358598) Show SMILES CN(CC(=O)N(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C34H44N2O6S/c1-21-13-22(2)31(23(3)14-21)43(41,42)35(10)20-30(38)36(27-11-12-28(32(39)40)29(37)18-27)19-24-15-25(33(4,5)6)17-26(16-24)34(7,8)9/h11-18,37H,19-20H2,1-10H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033946 (CHEMBL3358596) Show SMILES CN(CC(=O)N(Cc1ccc2ccccc2c1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C30H30N2O6S/c1-19-13-20(2)29(21(3)14-19)39(37,38)31(4)18-28(34)32(25-11-12-26(30(35)36)27(33)16-25)17-22-9-10-23-7-5-6-8-24(23)15-22/h5-16,33H,17-18H2,1-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446146 (CHEMBL3108909) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446145 (CHEMBL3108910) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446144 (CHEMBL3108911) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(F)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H26F6N2O5S/c1-36(43(41,42)28-26(34)24(32)23(31)25(33)27(28)35)15-22(38)37(19-11-12-20(29(39)40)21(30)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17H,2-6,14-15H2,1H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033888 (CHEMBL3358610) Show SMILES CN(CC(=O)N(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C31H33F5N2O6S/c1-30(2,3)17-10-16(11-18(12-17)31(4,5)6)14-38(19-8-9-20(29(41)42)21(39)13-19)22(40)15-37(7)45(43,44)28-26(35)24(33)23(32)25(34)27(28)36/h8-13,39H,14-15H2,1-7H3,(H,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033890 (CHEMBL3358608) Show SMILES CN(CC(=O)N(Cc1ccc2ccccc2c1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C27H19F5N2O6S/c1-33(41(39,40)26-24(31)22(29)21(28)23(30)25(26)32)13-20(36)34(17-8-9-18(27(37)38)19(35)11-17)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-11,35H,12-13H2,1H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033895 (CHEMBL3358604) Show SMILES CN(CC(=O)N(Cc1ccc(C)cc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C24H19F5N2O6S/c1-12-3-5-13(6-4-12)10-31(14-7-8-15(24(34)35)16(32)9-14)17(33)11-30(2)38(36,37)23-21(28)19(26)18(25)20(27)22(23)29/h3-9,32H,10-11H2,1-2H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034006 (CHEMBL3358591) Show SMILES CN(CC(=O)N(CC12CCC(CC1)C2)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H34N2O6S/c1-17-11-18(2)25(19(3)12-17)36(34,35)28(4)15-24(31)29(16-27-9-7-20(14-27)8-10-27)21-5-6-22(26(32)33)23(30)13-21/h5-6,11-13,20,30H,7-10,14-16H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034005 (CHEMBL3358592) Show SMILES CN(CC(=O)N(Cc1ccc(C)cc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H30N2O6S/c1-17-6-8-21(9-7-17)15-29(22-10-11-23(27(32)33)24(30)14-22)25(31)16-28(5)36(34,35)26-19(3)12-18(2)13-20(26)4/h6-14,30H,15-16H2,1-5H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033993 (CHEMBL3358593) Show SMILES CN(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C26H28N2O6S/c1-17-12-18(2)25(19(3)13-17)35(33,34)27(4)16-24(30)28(15-20-8-6-5-7-9-20)21-10-11-22(26(31)32)23(29)14-21/h5-14,29H,15-16H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033963 (CHEMBL3358594) Show SMILES CN(CC(=O)N(Cc1ccc(F)cc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C26H27FN2O6S/c1-16-11-17(2)25(18(3)12-16)36(34,35)28(4)15-24(31)29(14-19-5-7-20(27)8-6-19)21-9-10-22(26(32)33)23(30)13-21/h5-13,30H,14-15H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033947 (CHEMBL3358595) Show SMILES CN(CC(=O)N(Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C26H23F5N2O6S/c1-12-7-13(2)25(14(3)8-12)40(38,39)32(4)11-19(35)33(15-5-6-16(26(36)37)18(34)9-15)10-17-20(27)22(29)24(31)23(30)21(17)28/h5-9,34H,10-11H2,1-4H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033945 (CHEMBL3358597) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C30H36N2O6S/c1-19-14-20(2)28(21(3)15-19)39(37,38)31(7)18-27(34)32(24-12-13-25(29(35)36)26(33)16-24)17-22-8-10-23(11-9-22)30(4,5)6/h8-16,33H,17-18H2,1-7H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033943 (CHEMBL3358599) Show SMILES CN(CC(=O)N(CC1CCCO1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C21H19F5N2O7S/c1-27(36(33,34)20-18(25)16(23)15(22)17(24)19(20)26)9-14(30)28(8-11-3-2-6-35-11)10-4-5-12(21(31)32)13(29)7-10/h4-5,7,11,29H,2-3,6,8-9H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034036 (CHEMBL3358588) Show SMILES CN(CC(=O)N(Cc1cccs1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C24H26N2O6S2/c1-15-10-16(2)23(17(3)11-15)34(31,32)25(4)14-22(28)26(13-19-6-5-9-33-19)18-7-8-20(24(29)30)21(27)12-18/h5-12,27H,13-14H2,1-4H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034008 (CHEMBL3358589) Show SMILES CN(CC(=O)N(Cc1nccn1C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C24H28N4O6S/c1-15-10-16(2)23(17(3)11-15)35(33,34)27(5)14-22(30)28(13-21-25-8-9-26(21)4)18-6-7-19(24(31)32)20(29)12-18/h6-12,29H,13-14H2,1-5H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034080 (CHEMBL3358587) Show SMILES CN(CC(=O)N(CC1CCCO1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C24H30N2O7S/c1-15-10-16(2)23(17(3)11-15)34(31,32)25(4)14-22(28)26(13-19-6-5-9-33-19)18-7-8-20(24(29)30)21(27)12-18/h7-8,10-12,19,27H,5-6,9,13-14H2,1-4H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033889 (CHEMBL3358609) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C27H25F5N2O6S/c1-27(2,3)15-7-5-14(6-8-15)12-34(16-9-10-17(26(37)38)18(35)11-16)19(36)13-33(4)41(39,40)25-23(31)21(29)20(28)22(30)24(25)32/h5-11,35H,12-13H2,1-4H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50034007 (CHEMBL3358590) Show SMILES CN(CC(=O)N(CC1CC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C23H28N2O6S/c1-14-9-15(2)22(16(3)10-14)32(30,31)24(4)13-21(27)25(12-17-5-6-17)18-7-8-19(23(28)29)20(26)11-18/h7-11,17,26H,5-6,12-13H2,1-4H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033891 (CHEMBL3358607) Show SMILES CN(CC(=O)N(Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C23H12F10N2O6S/c1-34(42(40,41)22-20(32)18(30)17(29)19(31)21(22)33)6-11(37)35(7-2-3-8(23(38)39)10(36)4-7)5-9-12(24)14(26)16(28)15(27)13(9)25/h2-4,36H,5-6H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033892 (CHEMBL3358606) Show SMILES CN(CC(=O)N(Cc1ccc(F)cc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C23H16F6N2O6S/c1-30(38(36,37)22-20(28)18(26)17(25)19(27)21(22)29)10-16(33)31(9-11-2-4-12(24)5-3-11)13-6-7-14(23(34)35)15(32)8-13/h2-8,32H,9-10H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033893 (CHEMBL3358605) Show SMILES CN(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C23H17F5N2O6S/c1-29(37(35,36)22-20(27)18(25)17(24)19(26)21(22)28)11-16(32)30(10-12-5-3-2-4-6-12)13-7-8-14(23(33)34)15(31)9-13/h2-9,31H,10-11H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033896 (CHEMBL3358603) Show SMILES CN(CC(=O)N(CC12CCC(CC1)C2)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C24H23F5N2O6S/c1-30(38(36,37)22-20(28)18(26)17(25)19(27)21(22)29)10-16(33)31(11-24-6-4-12(9-24)5-7-24)13-2-3-14(23(34)35)15(32)8-13/h2-3,8,12,32H,4-7,9-11H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033897 (CHEMBL3358602) Show SMILES CN(CC(=O)N(CC1CC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C20H17F5N2O6S/c1-26(34(32,33)19-17(24)15(22)14(21)16(23)18(19)25)8-13(29)27(7-9-2-3-9)10-4-5-11(20(30)31)12(28)6-10/h4-6,9,28H,2-3,7-8H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033939 (CHEMBL3358601) Show SMILES CN(CC(=O)N(Cc1nccn1C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C21H17F5N4O6S/c1-28-6-5-27-13(28)8-30(10-3-4-11(21(33)34)12(31)7-10)14(32)9-29(2)37(35,36)20-18(25)16(23)15(22)17(24)19(20)26/h3-7,31H,8-9H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033940 (CHEMBL3358600) Show SMILES CN(CC(=O)N(Cc1cccs1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C21H15F5N2O6S2/c1-27(36(33,34)20-18(25)16(23)15(22)17(24)19(20)26)9-14(30)28(8-11-3-2-6-35-11)10-4-5-12(21(31)32)13(29)7-10/h2-7,29H,8-9H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50033887 (CHEMBL3358611) Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT3 (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 proteolytic activity				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site by sAPP_NF cell based assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 expressed in CHO cells co-transfected with human APP with Swedish mutation assessed as amyloid beta1-40 secreti...				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	757	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1 using Rh-EVNLDAEFK-Quencher as substrate				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50364303 (CHEMBL1952315) Show SMILES OCCN(CCO)c1ccc(NC(=O)c2cnc3cc(Cl)cc(Cl)c3c2O)cc1 Show InChI InChI=1S/C20H19Cl2N3O4/c21-12-9-16(22)18-17(10-12)23-11-15(19(18)28)20(29)24-13-1-3-14(4-2-13)25(5-7-26)6-8-27/h1-4,9-11,26-27H,5-8H2,(H,23,28)(H,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50364304 (CHEMBL1952316) Show SMILES CSc1ccc2c(O)c(cnc2c1)C(=O)Nc1ccc(cc1)N(CCO)CCO Show InChI InChI=1S/C21H23N3O4S/c1-29-16-6-7-17-19(12-16)22-13-18(20(17)27)21(28)23-14-2-4-15(5-3-14)24(8-10-25)9-11-26/h2-7,12-13,25-26H,8-11H2,1H3,(H,22,27)(H,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50364305 (CHEMBL1952317) Show SMILES CSc1cccc2c(O)c(cnc12)C(=O)Nc1ccc(cc1)N(CCO)CCO Show InChI InChI=1S/C21H23N3O4S/c1-29-18-4-2-3-16-19(18)22-13-17(20(16)27)21(28)23-14-5-7-15(8-6-14)24(9-11-25)10-12-26/h2-8,13,25-26H,9-12H2,1H3,(H,22,27)(H,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50033887 (CHEMBL3358611) Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to full-length His-tagged STAT3 (unknown origin) by surface plasmon resonance assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site assessed as amyloid EV40 secretion				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446146 (CHEMBL3108909) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
University of Toronto at Mississauga Curated by ChEMBL					Assay Description Binding affinity to His-tagged STAT3 (unknown origin) by SPR spectroscopic analysis				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5A (Homo sapiens (Human))	BDBM50446146 (CHEMBL3108909) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a
University of Toronto at Mississauga Curated by ChEMBL					Assay Description Binding affinity to His-tagged STAT5 (unknown origin) by SPR spectroscopic analysis				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033887 (CHEMBL3358611) Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to full-length His-tagged STAT5B (unknown origin) by surface plasmon resonance assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair