Found 5 hits Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3' and Ligand = 'BDBM50446146' 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)) | 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)) | 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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116941 BindingDB Entry DOI: 10.7270/Q2PN99MK |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(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 MCE 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 | |
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 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 | 1.57E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00940 BindingDB Entry DOI: 10.7270/Q2H9999J |
More data for this Ligand-Target Pair | |