BDBM41675 2-Amino-1-benzo[1,3]dioxol-5-ylmethyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylic acid (3-methyl-butyl)-amide::2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide::2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide::2-amino-N-isoamyl-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide::2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide::MLS000558485::SMR000149001::cid_1891819
SMILES: CC(C)CCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
InChI Key: InChIKey=UVFRFIDUCQQZLS-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41675 (2-Amino-1-benzo[1,3]dioxol-5-ylmethyl-1H-pyrrolo[2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2902257 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41675 (2-Amino-1-benzo[1,3]dioxol-5-ylmethyl-1H-pyrrolo[2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26D5RD0 | |||||||||||
More data for this Ligand-Target Pair |