BDBM89400 2-[1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]-2-piperidyl]acetic acid ethyl ester::2-[1-[[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-oxomethyl]-2-piperidinyl]acetic acid ethyl ester::MLS001126596::SMR000654747::cid_24792017::ethyl 2-[1-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate::ethyl 2-[1-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]piperidin-2-yl]ethanoate
SMILES: CCOC(=O)CC1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1
InChI Key: InChIKey=RSRQXZAPJUVSAR-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zinc finger protein GLI1 (Mus musculus) | BDBM89400 (2-[1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbon...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.47E+3 | 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, C... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2862F26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galanin receptor 3 (Homo sapiens (Human)) | BDBM89400 (2-[1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbon...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 448 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Wnt-3a (Mus musculus) | BDBM89400 (2-[1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 777 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X | ||||||||||||
More data for this Ligand-Target Pair |