BDBM32686 4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzenesulfonamide::4-(2-keto-2-morpholino-ethoxy)-N-(p-tolyl)benzenesulfonamide::CHEMBL235929::MLS000124061::N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzenesulfonamide::N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide::N-(4-methylphenyl)-4-[2-(4-morpholinyl)-2-oxoethoxy]benzenesulfonamide::SMR000124525::cid_1092897
SMILES: Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChI Key: InChIKey=BTDKTUBPVBEYGA-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM32686 (4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N29V8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM32686 (4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
and University of California at San Diego Curated by ChEMBL | Assay Description Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry | J Med Chem 50: 6607-17 (2007) Article DOI: 10.1021/jm0707424 BindingDB Entry DOI: 10.7270/Q2TT4QPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32686 (4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2W957K6 | |||||||||||
More data for this Ligand-Target Pair |