Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3' and Ligand = 'BDBM50353440'   

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 3 (Homo sapiens (Human))	BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+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 STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay				Bioorg Med Chem Lett 21: 5605-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. US Patent					Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...				US Patent US10196373 (2019) BindingDB Entry DOI: 10.7270/Q27083HS
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. US Patent					Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...				US Patent US10196373 (2019) BindingDB Entry DOI: 10.7270/Q27083HS
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Mus musculus (mouse))	BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of STAT3 in mouse NIH3T3/vSrc nuclear extract assessed as disruption of the Stat3-DNA complex pre-incubated for 30 mins by EMSA analysis				Bioorg Med Chem Lett 21: 5605-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9
					More data for this Ligand-Target Pair