BDBM50446146 CHEMBL3108909

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

InChI Key: InChIKey=VFPYGNNOSJWBHF-UHFFFAOYSA-N

Data: 1 KI  1 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446146   

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
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 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))	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 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
Transcription Factor STAT3 (Mus musculus (mouse))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii Cancer Center Curated by ChEMBL					Assay Description Inhibition of STAT3 DNA binding activity in mouse NIH/3T3 nuclear extract preincubated for 30 mins followed by [32P]hSIE addition measured after 30 m...				ACS Med Chem Lett 9: 250-255 (2018) Article DOI: 10.1021/acsmedchemlett.7b00544 BindingDB Entry DOI: 10.7270/Q2KH0R1M
					More data for this Ligand-Target Pair
Transcription factor STAT5a (STAT5a) (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 UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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