BDBM95474 MLS000047465::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1-piperazinyl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-keto-2-(o-anisidino)ethyl]piperazino]acetamide::SMR000033476::cid_3245185
SMILES: COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
InChI Key: InChIKey=CKWXMLBTPQEDBB-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM95474 (MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >3.59E+4 | 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/Q2SX6BVP | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (Human)) | BDBM95474 (MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.02E+3 | 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/Q22F7M18 | ||||||||||||
More data for this Ligand-Target Pair |