BDBM75441 1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine::1-[2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine::22GK (17c)::MLS002473628::SMR001397795::cid_44202271
SMILES: COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
InChI Key: InChIKey=SHFSMMIREYPMIZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-4 (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4 (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >4.30E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24X5684 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D (PldA) (Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Vanderbilt University | Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5... | ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D (PLD) (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Vanderbilt University | Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5... | ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D2 (PLD2) (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Vanderbilt University | Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5... | ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D (PldA) (Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Vanderbilt University | Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM... | ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D (PLD) (Homo sapiens (Human)) | BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Vanderbilt University | Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5... | ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8 | |||||||||||
More data for this Ligand-Target Pair |