BDBM64849 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(2-pyridyl)thiazol-2-yl]pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(2-pyridinyl)-2-thiazolyl]-3-pyrrolidinecarboxamide::MLS000394395::SMR000261836::cid_5033819
SMILES: O=C(Nc1nc(cs1)-c1ccccn1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
InChI Key: InChIKey=IANKKUUQOWXLNS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BZLF1 (Human herpesvirus 4) | BDBM64849![]() (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BC3X0T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM64849![]() (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QN656Q | |||||||||||
More data for this Ligand-Target Pair |